pregnanediol

PubChem Notes:

Pregnanediol An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.

MediLexicon pregnanediol - Medical Dictionary Definition for Term 'pregnanediol'

[1. Chief steroid metabolite of progesterone that is biologically inactive and occurs as pregnanediol glucuronate in the urine.

Molecular Formula: C21H36O2


InChI: InChI=1/C21H36O2/c1-4-14-6-8-17-16-7-5-15-13-21(22,23)12-11-20(15,3)18(16)9-10-19(14,17)2/h14-18,22-23H,4-13H2,1-3H3/t14-,15u,16-,17-,18-,19+,20-/m0/s1

InChIKey: InChIKey=JBSVQUOGNMYMSF-HTOWPQMMBK
SMILES: CCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)(O)O)C)C

Names:
    Pregnanediol (VAN)
    pregnanediol
    (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
    26445-07-8

Registries:
    PubChem CID 3032822
    PubChem ID 175356