Description
Pregn-5-ene-3β,17α,20S-triol is a metabolite of Pregnenolone.
Synonyms
(3β,17α,20S)-Pregn-5-ene-3,17,20-triol; delta 5-Pregnenetriol
IUPAC Name
(3S,8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Formula
C21H34O3
Canonical SMILES
CC(C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)O
InChI
InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,13,15-18,22-24H,5-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey
XGUQCUDPXSTKLI-PUOFRWEFSA-N