Name: 6-Acetyldepheline
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322374
Cas No:1310693-07-2
常用名:6-Acetyldepheline
IUPAC:(2R,3R,4S,5R,6S,8R,12S,13S,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}]docosan-21-yl acetate
IUPAC:(2R,3R,4S,5R,6S,8R,12S,13S,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}]docosan-21-yl acetate
InChI key:OWWYREKLGMILGW-QOOYRSHDSA-N

分子式:C27H41NO7
分子量:491.625
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@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@@]2([H])C33[C@H](CC[C@@]2(C)CN(CC)[C@]13[H])OC |TLB:18:36:24:29.28.27,10:18:26:33.32.30,3:26:19.18:33.32.30,34:33:19.18:26,34:33:24:29.28.27,29:30:19.18:26,2:3:36:19.24,7:5:36:19.24,THB:20:19:10.5.3:36,20:19:26:33.32.30,19:24:36.33.32:29.28.27,33:36:10.5.3:19.24,30:24:10.5.3:36,31:30:19.18:26,27:26:19.18:33.32.30,38:27:36.33.32:24,8:7:3.2:10.12.11,11:10:36:19.24,15:10:36:19.24,17:18:26:33.32.30|
SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@@]1(C[C@@H]2OC)OCO[C@@]11[C@@H](OC(C)=O)[C@@]2([H])C33[C@H](CC[C@@]2(C)CN(CC)[C@]13[H])OC |TLB:18:36:24:29.28.27,10:18:26:33.32.30,3:26:19.18:33.32.30,34:33:19.18:26,34:33:24:29.28.27,29:30:19.18:26,2:3:36:19.24,7:5:36:19.24,THB:20:19:10.5.3:36,20:19:26:33.32.30,19:24:36.33.32:29.28.27,33:36:10.5.3:19.24,30:24:10.5.3:36,31:30:19.18:26,27:26:19.18:33.32.30,38:27:36.33.32:24,8:7:3.2:10.12.11,11:10:36:19.24,15:10:36:19.24,17:18:26:33.32.30|

6-Acetyldepheline, a natural alkaloid, can be isolated from Delphinium tatsienense.

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