Name: Pheanthine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212661072
Cas No:1263-79-2
常用名:Pheanthine
IUPAC:(1R,14R)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaene
IUPAC:(1R,14R)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{14,18}.0^{27,31}.0^{22,33}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaene
InChI key:WVTKBKWTSCPRNU-LOYHVIPDSA-N

分子式:C38H42N2O6
分子量:622.762
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:6.4782624
SMILES:[H][C@@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3
SMILES:[H][C@@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3

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