Berbamine acetate
HIT218849744
sdf文件结构编辑类似物检索
HIT ID: HIT218849744
Cas No: 73885-53-7
分子式: C39H42N2O7
分子量: 650.772
常用名: Berbamine acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,14R)-20,21,25-trimethoxy-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-3,5,8,10,12(34),18(33),19,21,24,26,31,35-dodecaen-9-yl acetate
IUPAC: (1S,14R)-20,21,25-trimethoxy-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-3,5,8,10,12(34),18(33),19,21,24,26,31,35-dodecaen-9-yl acetate
SMILES: [H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC(C)=O)cc3
SMILES: [H][C@]12Cc3ccc(Oc4cc(C[C@@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC(C)=O)cc3
InChI key: QQHBFLLFMBTZBU-IOWSJCHKSA-N
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