HIT ID: HIT101009787

Cas No: 53802-77-0

分子式: C20H20O4

分子量: 324.376

常用名: Calopocarpin

氢键受体数 (HBA): 4

氢键供体数 (HBD): 2

LogP: 5.09

IUPAC: (1R,10R)-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-c1cc2-[#6@@H]-3-[#8]-c4cc(-[#8])ccc4-[#6@@H]-3-[#6]-[#8]-c2cc1-[#8]

InChI key: CYXCYFYWIZXENQ-JXFKEZNVSA-N