HIT ID: HIT100923129

Cas No: 3566-55-0

分子式: C24H30O5

分子量: 398.499

常用名: galbanic acid, N042-0012

氢键受体数 (HBA): 7

氢键供体数 (HBD): 1

LogP: 6.026999999999998e+000

IUPAC: 3-[(1S,2S,3S)-2,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(propan-2-ylidene)cyclohexyl]propanoic acid

SMILES: [#6]-[#6@H]1-[#6]-[#6]\[#6](-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#8]-c1ccc2ccc(=O)oc2c1)=[#6](/[#6])-[#6]

InChI key: CVWWNYPTZYQCSE-YFBXQHAESA-N