Name: N-Acetyldelectine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316995
Cas No:63596-61-2
常用名:N-Acetyldelectine
IUPAC:[(2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-acetamidobenzoate
IUPAC:[(2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-acetamidobenzoate
InChI key:GVZZOVYQNAEUTQ-CIIKILIZSA-N

分子式:C33H46N2O9
分子量:614.736
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@H](CC[C@@]2(COC(=O)c2ccccc2NC(C)=O)CN(CC)[C@]13[H])OC |TLB:43:42:22:15.17,9:15:22:26.41.42,3:22:26.41.42:15.17,2:3:45:20.17,7:5:45:20.17,8:7:3.2:9.12.11,THB:23:22:26.41.42:15.17,27:26:22:15.17,42:45:20.17:9.5.3,16:15:22:26.41.42,17:20:41.42.45:23.25.24,18:17:22:26.41.42,18:17:45:9.5.3,10:9:45:20.17,11:9:45:20.17,25:26:22:15.17|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@]2([H])C33[C@H](CC[C@@]2(COC(=O)c2ccccc2NC(C)=O)CN(CC)[C@]13[H])OC |TLB:43:42:22:15.17,9:15:22:26.41.42,3:22:26.41.42:15.17,2:3:45:20.17,7:5:45:20.17,8:7:3.2:9.12.11,THB:23:22:26.41.42:15.17,27:26:22:15.17,42:45:20.17:9.5.3,16:15:22:26.41.42,17:20:41.42.45:23.25.24,18:17:22:26.41.42,18:17:45:9.5.3,10:9:45:20.17,11:9:45:20.17,25:26:22:15.17|

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