pregnanolone

PubChem Notes:

Pregnanolone A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.

Molecular Formula: C21H34O2


InChI: InChI=1/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

InChIKey: InChIKey=AURFZBICLPNKBZ-YZRLXODZBF
SMILES: [H][[email protected]]12CC[[email protected]]3([H])[[email protected]]([H])(CC[[email protected]]4(C)[[email protected]]([H])(CC[[email protected]@]34[H])C(C)=O)[[email protected]@]1(C)CC[[email protected]@H](O)C2

CAS number 128-20-1

Names:
    eltanolone
    NSC82867
    Pregnanolone II
    pregnanolone
    Pregnan-20-one, 3-hydroxy-, (3.alpha.,5.beta.)-
    pregnan-3α-ol-20-one
    Pregnan-3.alpha.-ol-20-one
    SKF 6455
    (3α,5β)-3-hydroxypregnan-20-one
    1-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
    128-20-1
    3alpha-Hydroxy-5beta-pregnane-20-one
    3alpha-hydroxy-5beta-pregnan-20-one
    3.alpha., 5.beta.-Epimeric pregnanolone
    3.alpha.-Hydroxy-5.beta.-pregnan-20-one
    3.alpha.-Hydroxy-5.beta.-tetrahydroprogesterone
    5.beta.-Pregnan-20-one, 3.alpha.-hydroxy-

Registries:
    PubChem CID 31402
    Beilstein =3211364
    CAS 128-20-1 (from NIST)
    ChEBI 1712
    Kegg C05480
    PubChem ID 121290
    PubChem ID 7840