HIT ID: HIT218695053

Cas No:

分子式: C25H34O6

分子量: 430.541

常用名: methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,9a,9b,10,11-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate, YK11

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate

SMILES: [H][C@@]12CC[C@]3(OC(C)(OC)O\C3=C\C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]

InChI key: KCQHQCDHFVGNMK-PQUNLUOYSA-N