Fumaritine
HIT106682594
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HIT ID: HIT106682594
Cas No: 24181-78-0
分子式: C20H21NO5
分子量: 355.39
常用名: Fumaritine
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 2.234
IUPAC: 6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]-7',8-diol
IUPAC: 6'-methoxy-2'-methyl-3',4',6,8-tetrahydro-2H,2'H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]-7',8-diol
SMILES: COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1O
SMILES: COc1cc2CCN(C)C3(Cc4ccc5OCOc5c4C3O)c2cc1O
InChI key: YUIGSRGRYOBFRF-UHFFFAOYSA-N
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