Name: Ajacine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317164
Cas No:509-17-1
常用名:Ajacine
IUPAC:[(2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-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,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-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:NUXFDCYXMLVOFU-FUQJQRBVSA-N

分子式:C34H48N2O9
分子量:628.763
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[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:44:43:23:16.18,10:16:23:27.42.43,3:23:27.42.43:16.18,2:3:46:21.18,7:5:46:21.18,THB:24:23:27.42.43:16.18,28:27:23:16.18,43:46:21.18:10.5.3,17:16:23:27.42.43,18:21:42.43.46:24.26.25,19:18:23:27.42.43,19:18:46:10.5.3,11:10:46:21.18,8:7:3.2:10.13.12,12:10:46:21.18,26:27:23:16.18|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[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:44:43:23:16.18,10:16:23:27.42.43,3:23:27.42.43:16.18,2:3:46:21.18,7:5:46:21.18,THB:24:23:27.42.43:16.18,28:27:23:16.18,43:46:21.18:10.5.3,17:16:23:27.42.43,18:21:42.43.46:24.26.25,19:18:23:27.42.43,19:18:46:10.5.3,11:10:46:21.18,8:7:3.2:10.13.12,12:10:46:21.18,26:27:23:16.18|

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