HIT ID: HIT218701008

Cas No:

分子式: C21H34O2

分子量: 322.525

常用名: 1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-tetradecahydro(1-2H)cyclopenta[a]phenanthren-1-yl](2H3)ethanone, Allopregnanolone-d4

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 1-[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-hexadecahydro(1-2H)-1H-cyclopenta[a]phenanthren-1-yl](2H3)ethan-1-one

SMILES: [H][C@@]12CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C

InChI key: AURFZBICLPNKBZ-XYVGEBCNSA-N