HIT ID: HIT100411249

Cas No: 114175-98-3

分子式: C30H46O7

分子量: 518.691

常用名: Cecropiacic acid

氢键受体数 (HBA): 7

氢键供体数 (HBD): 4

LogP: 4.911

IUPAC: (1R,4aR,4bS,6aS,9R,10R,10aS)-2-(1-carboxy-1-methylethyl)-1-(carboxymethyl)-10-hydroxy-1,4a,4b,9,10-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysene-6a-carboxylic acid

SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@](C)(CC(O)=O)C(CC[C@@]34C)C(C)(C)C(O)=O)[C@@H]2[C@]1(C)O)C(O)=O |c:9|

InChI key: BGDQNRGNCKACFK-QSCFBMDYSA-N