Furocoumarin Mixed Solution (15 Ifra Furocoumarins)(P) [~1.0Mg/Ml] (In Solution)
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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8-Geranyloxypsoralen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 O4
Molecular Weight
338.40
Accurate Mass
338.1518
Appearance/Form
Liquid
SMILES
CC(=CCC\C(=C\COc1c2OC(=O)C=Cc2cc3ccoc13)\C)C
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
IUPAC
9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Bergamottin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 O4
Molecular Weight
338.40
Accurate Mass
338.1518
Appearance/Form
Liquid
SMILES
CC(=CCC\C(=C\COc1c2C=CC(=O)Oc2cc3occc13)\C)C
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
IUPAC
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Bergapten
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 O4
Molecular Weight
216.19
Accurate Mass
216.0423
Appearance/Form
Liquid
SMILES
COc1c2C=CC(=O)Oc2cc3occc13
InChI
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
IUPAC
4-methoxyfuro[3,2-g]chromen-7-one
Byakangelicin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H18 O7
Molecular Weight
334.32
Accurate Mass
334.1053
Appearance/Form
Liquid
SMILES
COc1c2C=CC(=O)Oc2c(OC[C@@H](O)C(C)(C)O)c3occc13
InChI
InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
IUPAC
9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Byakangelicol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 O6
Molecular Weight
316.31
Accurate Mass
316.0947
Appearance/Form
Liquid
SMILES
COc1c2C=CC(=O)Oc2c(OC[C@H]3OC3(C)C)c4occc14
InChI
InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1
IUPAC
9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Epoxybergamottin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 O5
Molecular Weight
354.40
Accurate Mass
354.1467
Appearance/Form
Liquid
SMILES
C\C(=C/COc1c2C=CC(=O)Oc2cc3occc13)\CCC4OC4(C)C
InChI
InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+
IUPAC
4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
Heraclenin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 O5
Molecular Weight
286.28
Accurate Mass
286.0841
Appearance/Form
Liquid
SMILES
CC1(C)O[C@@H]1COc2c3OC(=O)C=Cc3cc4ccoc24
InChI
InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3/t11-/m1/s1
IUPAC
9-[[(2R)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Imperatorin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 O4
Molecular Weight
270.28
Accurate Mass
270.0892
Appearance/Form
Liquid
SMILES
CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
IUPAC
9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Isoimperatorin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 O4
Molecular Weight
270.28
Accurate Mass
270.0892
Appearance/Form
Liquid
SMILES
CC(=CCOc1c2C=CC(=O)Oc2cc3occc13)C
InChI
InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
IUPAC
4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Isopimpinellin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H10 O5
Molecular Weight
246.22
Accurate Mass
246.0528
Appearance/Form
Liquid
SMILES
COc1c2OC(=O)C=Cc2c(OC)c3ccoc13
InChI
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
IUPAC
4,9-dimethoxyfuro[3,2-g]chromen-7-one
Oxypeucedanin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 O5
Molecular Weight
286.28
Accurate Mass
286.0841
Appearance/Form
Liquid
SMILES
CC1(C)O[C@H]1COc2c3C=CC(=O)Oc3cc4occc24
InChI
InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1
IUPAC
4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Oxypeucedanin hydrate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H16 O6
Molecular Weight
304.29
Accurate Mass
304.0947
Appearance/Form
Liquid
SMILES
CC(C)(O)[C@H](O)COc1c2C=CC(=O)Oc2cc3occc13
InChI
InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
IUPAC
4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Phellopterin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 O5
Molecular Weight
300.31
Accurate Mass
300.0998
Appearance/Form
Liquid
SMILES
COc1c2C=CC(=O)Oc2c(OCC=C(C)C)c3occc13
InChI
InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3
IUPAC
4-methoxy-9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Psoralen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H6 O3
Molecular Weight
186.16
Accurate Mass
186.0317
Appearance/Form
Liquid
SMILES
O=C1Oc2cc3occc3cc2C=C1
InChI
InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
IUPAC
furo[3,2-g]chromen-7-one
Xanthotoxin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 O4
Molecular Weight
216.19
Accurate Mass
216.0423
Appearance/Form
Liquid
SMILES
COc1c2OC(=O)C=Cc2cc3ccoc13
InChI
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
IUPAC
9-methoxyfuro[3,2-g]chromen-7-one
Storage & Transport Information
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Tariff Code
38220000
Product Attributes
Product Format
Mixture
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