Name: Hernandezine
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212665538
Cas No:6681-13-6
常用名:Hernandezine
别名:鹤氏唐松草碱
IUPAC:(1S,14S)-9,19,20,21,25-pentamethoxy-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-dodecaene
IUPAC:(1S,14S)-9,19,20,21,25-pentamethoxy-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-dodecaene
InChI key:FUZMQNZACIFDBL-KYJUHHDHSA-N

分子式:C39H44N2O7
分子量:652.788
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:7.51
SMILES:COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
SMILES:COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34

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