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dehydroisoandrosterone 3-glucuronide

Go to external page http://purl.obolibrary.org/obo/CHEBI_68834

A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component.

Term info

Label

dehydroisoandrosterone 3-glucuronide

Synonyms
  • (3beta)-17-oxoandrost-5-en-3-yl beta-D-glucopyranosiduronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta)-17-oxoandrost-5-en-3-yl beta-D-glucopyranosiduronic acid [ IUPAC ]

charge

0

formula

C25H36O8

has obo namespace

chebi_ontology

has related synonym

dehydroepiandrosterone 3-glucuronide, Dehydroepiandrosterone glucopyranuronoside, dehydroisoandrosterone glucopyranuronoside

id

CHEBI:68834

inchi

InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

inchikey

GLONBVCUAVPJFV-PCDHEYSGSA-N

mass

464.54850

monoisotopicmass

464.24102

smiles

[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H])O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O