Name: Daphnilongeridine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885120
Cas No:922522-15-4
常用名:Daphnilongeridine
IUPAC:(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-{2-[(1S,2R,3R,7R,10S,11R,13S,14R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,11}]hexadecan-2-yl]ethyl}-6-oxabicyclo[3.2.1]octan-2-yl acetate
IUPAC:(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-{2-[(1S,2R,3R,7R,10S,11R,13S,14R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,11}]hexadecan-2-yl]ethyl}-6-oxabicyclo[3.2.1]octan-2-yl acetate
InChI key:VQBLZPKBXFEWGF-FCEQYDTKSA-N

分子式:C32H51NO4
分子量:513.763
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H]2[C@]4(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@H](O)O4)[C@H]1N[C@H]35 |TLB:3:34:6.8:11.15,9:8:3.4.5:16,25:24:19:31.33,THB:11:36:3.4.5:16,18:19:22.23.24:31.33,32:31:19:22.23.24|
SMILES:CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CC[C@H]2[C@]4(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@H](O)O4)[C@H]1N[C@H]35 |TLB:3:34:6.8:11.15,9:8:3.4.5:16,25:24:19:31.33,THB:11:36:3.4.5:16,18:19:22.23.24:31.33,32:31:19:22.23.24|

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