Name: Deacetyltatsiensine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214311330
Cas No:86695-19-4
常用名:Deacetyltatsiensine
IUPAC:(2R,3R,5R,6S,8R,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docos-17-en-21-ol
IUPAC:(2R,3R,5R,6S,8R,16R,19S,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1^{2,5}.0^{1,13}.0^{3,8}.0^{8,12}.0^{16,20}]docos-17-en-21-ol
InChI key:FUJZMYWMMSGDEL-FWGSESNISA-N

分子式:C25H37NO6
分子量:447.572
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@]([H])(C1OC)[C@@]1(C[C@@H]2OC)OCOC11[C@@H](O)[C@@]2([H])C33C1N(CC)C[C@]2(C)C=C[C@@H]3OC |c:37,TLB:3:23:18.19:25.28.29,7:5:24:19.21,10:18:23:25.28.29,2:3:24:19.21,26:25:23:18.19,19:21:24.25.28:33.31.32,29:21:3.5.10:24,THB:33:23:18.19:25.28.29,8:7:10.11.12:3.2,11:10:24:19.21,25:24:3.5.10:19.21,17:18:23:25.28.29,15:10:24:19.21,20:19:23:25.28.29,30:29:23:18.19,31:29:23:18.19|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])(C1OC)[C@@]1(C[C@@H]2OC)OCOC11[C@@H](O)[C@@]2([H])C33C1N(CC)C[C@]2(C)C=C[C@@H]3OC |c:37,TLB:3:23:18.19:25.28.29,7:5:24:19.21,10:18:23:25.28.29,2:3:24:19.21,26:25:23:18.19,19:21:24.25.28:33.31.32,29:21:3.5.10:24,THB:33:23:18.19:25.28.29,8:7:10.11.12:3.2,11:10:24:19.21,25:24:3.5.10:19.21,17:18:23:25.28.29,15:10:24:19.21,20:19:23:25.28.29,30:29:23:18.19,31:29:23:18.19|

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