HIT ID: HIT212665622
Cas No: 52482-99-2;855746-98-4
分子式: C26H32O7
分子量: 456.535
常用名: Kurarinol
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 4.251
IUPAC: (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-8-[(2R)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O
SMILES: COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O
InChI key: XMUPAAIHKAIUSU-QRQCRPRQSA-N
