Name: Daphmacropodine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317134
Cas No:39729-21-0
常用名:Daphmacropodine
IUPAC:(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-{2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]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,3S,7R,10S,13S,14R)-1-methyl-14-(propan-2-yl)-12-azapentacyclo[8.6.0.0^{2,13}.0^{3,7}.0^{7,12}]hexadecan-2-yl]ethyl}-6-oxabicyclo[3.2.1]octan-2-yl acetate
InChI key:QCDMEBFUPVLRNE-RAVCKZRISA-N

分子式:C32H51NO4
分子量:513.763
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCC[C@@]11CC[C@]3([H])CN1[C@@]1([H])[C@H](CC[C@]3(C)[C@@]21CC[C@H]1[C@]2(C)CC[C@H](OC(C)=O)[C@@]1(C)[C@H](O)O2)C(C)C |@:11,TLB:20:19:10:5.7.6,28:27:22:36.34,1:19:14.15.16:11.8.10,1:19:10:5.7.6,37:14:19:11.8.10,18:17:1.5:12,18:17:10:5.7.6,7:8:1.5:12,THB:35:34:22:27.26.25,1:5:19.12.17:10,5:11:19:14.15.16,14:12:10:5.7.6,16:17:1.5:12,16:17:10:5.7.6,4:5:19.12.17:10|
SMILES:[H][C@@]12CCC[C@@]11CC[C@]3([H])CN1[C@@]1([H])[C@H](CC[C@]3(C)[C@@]21CC[C@H]1[C@]2(C)CC[C@H](OC(C)=O)[C@@]1(C)[C@H](O)O2)C(C)C |@:11,TLB:20:19:10:5.7.6,28:27:22:36.34,1:19:14.15.16:11.8.10,1:19:10:5.7.6,37:14:19:11.8.10,18:17:1.5:12,18:17:10:5.7.6,7:8:1.5:12,THB:35:34:22:27.26.25,1:5:19.12.17:10,5:11:19:14.15.16,14:12:10:5.7.6,16:17:1.5:12,16:17:10:5.7.6,4:5:19.12.17:10|

Daphmacropodine是一种天然产物，属于交让木科虎皮楠属，其产品编号为 TN6021，CAS号为 39729-21-0。Daphmacropodine可用作对照参考。

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