14-Benzoyl-8-O-methylaconine
HIT214317179
sdf文件结构编辑类似物检索
HIT ID: HIT214317179
Cas No: 93772-68-0
分子式: C33H47NO10
分子量: 617.736
常用名: 14-Benzoyl-8-O-methylaconine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
IUPAC: (2R,3R,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,7,14-trihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
SMILES: [H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](OC)([C@@H](O)[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](C[C@@H](O)[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:43:42:32:25.27,17:25:32:37.41.42,1:32:37.41.42:25.27,2:1:45:30.27,5:15:45:30.27,THB:33:32:37.41.42:25.27,42:45:30.27:17.15.1,27:30:41.42.45:33.35.34,28:27:32:37.41.42,28:27:45:17.15.1,18:17:45:30.27,6:5:1.2:17.22.20,20:17:45:30.27,35:37:32:25.27|
SMILES: [H][C@@]12C[C@@]3(O)[C@H](OC(=O)c4ccccc4)[C@]1([H])[C@](OC)([C@@H](O)[C@@H]3OC)[C@@]1([H])[C@H](OC)[C@@]3([H])C22[C@H](C[C@@H](O)[C@@]3(COC)CN(CC)[C@]12[H])OC |TLB:43:42:32:25.27,17:25:32:37.41.42,1:32:37.41.42:25.27,2:1:45:30.27,5:15:45:30.27,THB:33:32:37.41.42:25.27,42:45:30.27:17.15.1,27:30:41.42.45:33.35.34,28:27:32:37.41.42,28:27:45:17.15.1,18:17:45:30.27,6:5:1.2:17.22.20,20:17:45:30.27,35:37:32:25.27|
InChI key: VEMVATSAPLNYSX-ZUZAFRDRSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
4420 购物车
AnyMole
SC
4650 购物车
TargetMol | Target Loading
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