Etiocholanolone

Etiocholanolone The 5-beta-reduced isomer of ANDROSTERONE. Etiocholanolone is a major metabolite of TESTOSTERONE and ANDROSTENEDIONE in many mammalian species including humans. It is excreted in the URINE.

Molecular Formula: C₁₉H₃₀O₂

InChI: InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1

InChIKey: InChIKey=QGXBDMJGAMFCBF-BNSUEQOYBB
SMILES: [H][C@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

CAS number 53-42-9

Names:
    AETIOCHOLANOLONE
    Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-
    Androsterone, (5.beta.)-
    etiocholanolone
    Etiocholanolone
    Etiocholan-3alpha-ol-17-one
    Etiocholan-3.alpha.-ol-17-one
    NSC50908
    (3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    (3α,5β)-3-hydroxyandrostan-17-one
    3alpha-Hydroxyetiocholan-17-one
    3alpha-Hydroxy-5beta-androstan-17-one
    3alpha-hydroxy-5beta-androstan-17-one
    3α-etiocholanolone
    3α-hydroxy-5β-androstane-17-one
    3.alpha.-Etiocholanolone
    5β-androstan-3α-ol-17-one
    5β-androsterone
    5-Isoandrosterone
    5-isoandrosterone
    5.beta.-Androstan-17-one, 3.alpha.-hydroxy-
    5.beta.-Androsterone
    53-42-9

Registries:
    PubChem CID 5880
    Beilstein =2217625
    CAS 53-42-9 (from NIST)
    ChEBI 28195
    chemPDB AE2
    Kegg C04373
    LIPID MAPS LMST02020001
    PubChem ID 102477
    PubChem ID 7015