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16,17-didehydropregnenolone 3-beta-D-glucoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_145050

A sterol 3beta-D-glucoside in which the parent sterol is 16,17-didehydropregnenolone.

Term info

Label

16,17-didehydropregnenolone 3-beta-D-glucoside

Synonyms
  • 16,17-didehydropregnenolone 3-beta-D-glucoside
  • 20-oxopregna-5,16-dien-3beta-yl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
20-oxopregna-5,16-dien-3beta-yl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C27H40O7

has obo namespace

chebi_ontology

has related synonym

16,17-didehydropregnenolone 3-beta-D-glucopyranoside, 3beta-(beta-D-glucopyranosyloxy)pregna-5,16-diene-20-one

id

CHEBI:145050

inchi

InChI=1S/C27H40O7/c1-14(29)18-6-7-19-17-5-4-15-12-16(8-10-26(15,2)20(17)9-11-27(18,19)3)33-25-24(32)23(31)22(30)21(13-28)34-25/h4,6,16-17,19-25,28,30-32H,5,7-13H2,1-3H3/t16-,17-,19-,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

inchikey

QGPKWSCRJIOXBP-XLDQIIBYSA-N

mass

476.610

monoisotopicmass

476.27740

smiles

C1[C@@]2([C@]3(CC[C@]4(C)C(C(C)=O)=CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C