HIT ID: HIT100564818

Cas No: 95349-43-2

分子式: C21H26O9

分子量: 422.43

常用名: Calealactone B

氢键受体数 (HBA): 6

氢键供体数 (HBD): 1

LogP: 2.02

IUPAC: (1R,3R,4S,6S,8R,9R,10S,11S)-9-(acetyloxy)-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.0^{4,6}]tetradecan-10-yl 2-methylprop-2-enoate

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

InChI key: BRBRVKOYZAMSBL-PXFMFDQNSA-N