Name: Pyrrolizidine alkaloids Mixture 661 100 µg/mL in Methanol
Brand: Dr. Ehrenstorfer
SKU: DRE-A50000661ME

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Product Overview

Codice prodotto

DRE-A50000661ME

Numero CAS

21 Analytes

Formato del prodotto

Mixture

Solvente

Methanol

Numero di lotto

2-H558918ME

Scadenza

2029-10-09

Categorie di prodotto

Dr. Ehrenstorfer, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Alkaloids, Pharmaceutical and Veterinary Residue Reference Materials

Tipologia prodotto

Native/Parent

Documentazione

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Informazioni sul prodotto

(+)-Echimidine N-Oxide

Numero CAS

41093-89-4

CAS alternativo

CAS non marcato

Formula molecolare

C20 H31 N O8

Peso molecolare

413.46

Massa accurata

413.205

SMILES

C\C=C(\C)/C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12

InChI

InChI=1S/C20H31NO8/c1-6-12(2)17(23)29-15-8-10-21(27)9-7-14(16(15)21)11-28-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-,21?/m0/s1

IUPAC

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Echimidine

Numero CAS

520-68-3

CAS alternativo

CAS non marcato

Formula molecolare

C20 H31 N O7

Peso molecolare

397.46

Massa accurata

397.2101

SMILES

C\C=C(\C)/C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12

InChI

InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1

IUPAC

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Europine

Numero CAS

570-19-4

CAS alternativo

CAS non marcato

Formula molecolare

C16 H27 N O6

Peso molecolare

329.39

Massa accurata

329.1838

SMILES

CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12)C(C)(C)O

InChI

InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-/m0/s1

IUPAC

[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate

Europine-N-oxide

Numero CAS

65582-53-8

CAS alternativo

CAS non marcato

Formula molecolare

C16 H27 N O7

Peso molecolare

345.388

Massa accurata

345.179

SMILES

CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O

InChI

InChI=1S/C16H27NO7/c1-10(23-4)16(21,15(2,3)20)14(19)24-9-11-5-7-17(22)8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-,17?/m0/s1

IUPAC

[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate

Heliotrine

Numero CAS

303-33-3

CAS alternativo

CAS non marcato

Formula molecolare

C16 H27 N O5

Peso molecolare

313.3893

Massa accurata

313.1889

SMILES

CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12

InChI

InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1

IUPAC

[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate

Heliotrine-N-oxide

Numero CAS

6209-65-0

CAS alternativo

CAS non marcato

Formula molecolare

C16 H27 N O6

Peso molecolare

329.39

Massa accurata

329.1838

SMILES

CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12

InChI

InChI=1S/C16H27NO6/c1-10(2)16(20,11(3)22-4)15(19)23-9-12-5-7-17(21)8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+,17?/m1/s1

IUPAC

[(7S,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate

Intermedine

Numero CAS

10285-06-0

CAS alternativo

CAS non marcato

Formula molecolare

C15 H25 N O5

Peso molecolare

299.36

Massa accurata

299.1733

SMILES

CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12

InChI

InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1

IUPAC

[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

Intermedine N-oxide

Numero CAS

95462-14-9

CAS alternativo

CAS non marcato

Formula molecolare

C15 H25 N O6

Peso molecolare

315.36

Massa accurata

315.1682

SMILES

CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12

InChI

InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+,16?/m1/s1

IUPAC

[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

Lasiocarpine

Numero CAS

303-34-4

CAS alternativo

CAS non marcato

Formula molecolare

C21 H33 N O7

Peso molecolare

411.4892

Massa accurata

411.2257

SMILES

CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12)C(C)(C)O

InChI

InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1

IUPAC

[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate

Lasiocarpine-N-oxide

Numero CAS

127-30-0

CAS alternativo

CAS non marcato

Formula molecolare

C21 H33 N O8

Peso molecolare

427.49

Massa accurata

427.2206

SMILES

CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](OC(=O)\C(=C/C)\C)[C@@H]12)C(C)(C)O

InChI

InChI=1S/C21H33NO8/c1-7-13(2)18(23)30-16-9-11-22(27)10-8-15(17(16)22)12-29-19(24)21(26,14(3)28-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-,22?/m0/s1

IUPAC

[(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1S)-1-methoxyethyl]-3-methylbutanoate

Lycopsamine

Numero CAS

10285-07-1

CAS alternativo

CAS non marcato

Formula molecolare

C15 H25 N O5

Peso molecolare

299.363

Massa accurata

299.173

SMILES

CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12

InChI

InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-/m0/s1

IUPAC

[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Lycopsamine N-oxide

Numero CAS

95462-15-0

CAS alternativo

CAS non marcato

Formula molecolare

C15 H25 N O6

Peso molecolare

315.36

Massa accurata

315.1682

SMILES

CC(C)[C@](O)([C@H](C)O)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12

InChI

InChI=1S/C15H25NO6/c1-9(2)15(20,10(3)17)14(19)22-8-11-4-6-16(21)7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-,16?/m0/s1

IUPAC

[(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

Retrorsine

Numero CAS

480-54-6

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O6

Peso molecolare

351.39

Massa accurata

351.1682

SMILES

C\C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1

IUPAC

(1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Retrorsine N-Oxide

Numero CAS

15503-86-3

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O7

Peso molecolare

367.39

Massa accurata

367.1631

SMILES

C\C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1

Senecionine

Numero CAS

130-01-8

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O5

Peso molecolare

335.39

Massa accurata

335.1733

SMILES

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1

IUPAC

(1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Senecionine N-Oxide

Numero CAS

13268-67-2

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O6

Peso molecolare

351.39

Massa accurata

351.1682

SMILES

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1

Seneciphyllin

Numero CAS

480-81-9

CAS alternativo

CAS non marcato

Formula molecolare

C18 H23 N O5

Peso molecolare

333.38

Massa accurata

333.1576

SMILES

C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1

IUPAC

(1R,4Z,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Seneciphylline N-Oxide

Numero CAS

38710-26-8

CAS alternativo

CAS non marcato

Formula molecolare

C18 H23 N O6

Peso molecolare

349.38

Massa accurata

349.1525

SMILES

C\C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23

InChI

InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-,19?/m1/s1

Senecivernine

Numero CAS

72755-25-0

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O5

Peso molecolare

335.3948

Massa accurata

335.1733

SMILES

C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)C23

InChI

InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15?,18+/m0/s1

Senecivernine-N-oxide

Numero CAS

101687-28-9

CAS alternativo

CAS non marcato

Formula molecolare

C18 H25 N O6

Peso molecolare

351.3942

Massa accurata

351.1682

SMILES

C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC(=O)C1=C)C23

InChI

InChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15?,18+,19?/m0/s1

Senkirkine

Numero CAS

2318-18-5

CAS alternativo

CAS non marcato

Formula molecolare

C19 H27 N O6

Peso molecolare

365.42

Massa accurata

365.1838

SMILES

C\C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OC\C\2=C\CN(C)CC[C@@H](OC1=O)C2=O

InChI

InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1

IUPAC

(1R,4Z,6R,7R,11Z)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione

Temperatura di conservazione

-18°C

Temperatura di spedizione

+20°C

Paese di origine

UNITED STATES

Tipologia prodotto

Native/Parent

Formato del prodotto

Mixture

Solvente

Methanol

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Pyrrolizidine alkaloids Mixture 661 100 µg/mL in Methanol

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