Product Code

TRC-E378515

CAS Number

20267-93-0

Product Format

Neat

Molecular Formula

C15 H25 N O6

Molecular Weight

315.362

Product Categories

TRC, Additional endogenous metabolites, Alkaloids, Pharmaceutical Toxicology Reference Materials

Product Type

Metabolite

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Echinatine N-Oxide

CAS Number

20267-93-0

Molecular Formula

C15 H25 N O6

Molecular Weight

315.362

Accurate Mass

315.168

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

[(7S,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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Echinatine Oxide

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