Name: Dinklacorine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212715822
Cas No:60579-86-4
常用名:Dinklacorine
IUPAC:(8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1^{4,30}.1^{10,14}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]hexatriaconta-1(30),2,4(34),10(36),11,13,15(35),16,18,25(33),26,28(32)-dodecaen-16-ol
IUPAC:(8S,21R)-13,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1^{4,30}.1^{10,14}.1^{15,19}.0^{3,8}.0^{25,33}.0^{28,32}]hexatriaconta-1(30),2,4(34),10(36),11,13,15(35),16,18,25(33),26,28(32)-dodecaen-16-ol
InChI key:MMGBHVBJOIKWMF-WUFINQPMSA-N

分子式:C36H36N2O5
分子量:576.693
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:6.1640196
SMILES:COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN(C)[C@H](Cc8ccc(O)c(c8)-c1c2)c7c6Oc5cc34
SMILES:COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN(C)[C@H](Cc8ccc(O)c(c8)-c1c2)c7c6Oc5cc34

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