pregnanediol

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.

Molecular Formula: C₂₁H₃₆O₂

InChI: InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14u,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey: InChIKey=YWYQTGBBEZQBGO-PAYITLIBBP
SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

Names:
    C05484
    Diol
    Pregnandiol
    pregnanediol
    (3R,8S,9S,10S,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    5beta-Pregnane-3alpha,20alpha-diol
    80-92-2

Registries:
    PubChem CID 120059
    PubChem ID 7844