HIT ID: HIT100757162

Cas No: 434-03-7

分子式: C21H28O2

分子量: 312.453

常用名: Ethisterone

氢键受体数 (HBA): 2

氢键供体数 (HBD): 1

LogP: 3.489000000000000e+000

IUPAC: (1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C |t:8|

InChI key: CHNXZKVNWQUJIB-CEGNMAFCSA-N