Name: N-Methylsarpagine methosalt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214312692
Cas No:47418-70-2
常用名:N-Methylsarpagine methosalt
IUPAC:(1S,12S,13R,14R,15E)-15-ethylidene-7-hydroxy-13-(hydroxymethyl)-3,17-dimethyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-17-ium
IUPAC:(1S,12S,13R,14R,15E)-15-ethylidene-7-hydroxy-13-(hydroxymethyl)-3,17-dimethyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-17-ium
InChI key:JTTRGCDSKZRQPP-PRQFWUQUSA-O

分子式:C21H27N2O2
分子量:339.458
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C=C1\C[N+]2(C)[C@H]3Cc4c([C@@H]2C[C@@H]1[C@H]3CO)n(C)c1ccc(O)cc41 |THB:9:10:2.3:6.13|
SMILES:C\C=C1\C[N+]2(C)[C@H]3Cc4c([C@@H]2C[C@@H]1[C@H]3CO)n(C)c1ccc(O)cc41 |THB:9:10:2.3:6.13|

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