HIT ID: HIT218654784

Cas No: 4356-31-4

分子式: C31H48O3

分子量: 468.722

常用名: methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate, Methyl betulonate

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: methyl (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

SMILES: [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C

InChI key: XXCPTCZYFSRIGU-DSBZJMBESA-N