PREGNANETRIOL

Pregnanetriol A metabolite of 17-ALPHA-HYDROXYPROTESTERONE, normally produced in small quantities by the GONADS and the ADRENAL GLANDS, found in URINE. An elevated urinary pregnanetriol is associated with CONGENITAL ADRENAL HYPERPLASIA with a deficiency of STEROID 21-HYDROXYLASE.

Molecular Formula: C₂₁H₃₆O₃

InChI: InChI=1/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13?,14-,15-,16-,17+,18+,19+,20+,21+/m1/s1

InChIKey: InChIKey=SCPADBBISMMJAW-HWPIAJDMBT
SMILES: CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O

Names:
    PREGNANETRIOL
    (3R,5R,8R,9S,10S,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
    1369-06-8
    27178-64-9

Registries:
    PubChem CID 3032833
    PubChem ID 175569