pregnenolone

Pregnenolone A 21-carbon steroid, derived from CHOLESTEROL and found in steroid hormone-producing tissues. Pregnenolone is the precursor to GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS.

Molecular Formula: C₂₁H₃₂O₂

InChI: InChI=1/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey: InChIKey=ORNBQBCIOKFOEO-QGVNFLHTBZ
SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])C(C)=O

CAS number 145-13-1

Names:
    pregnenolone
    Pregnenolone
    pregnenolone
    Prestwick_859
    (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE
    1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    145-13-1
    3beta-Hydroxypregn-5-en-20-one
    5-Pregnen-3beta-ol-20-one

Registries:
    PubChem CID 8955
    Beilstein =2059026
    CAS 145-13-1 (from NIST)
    ChEBI 16581
    chemPDB PLO
    Kegg C01953
    PubChem ID 10321800
    PubChem ID 5056