Name: Lappaconine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319689
Cas No:23943-93-3
常用名:Lappaconine
别名:O(sup 1)-Methyllappaconidine, 20-ethyl-1,14,16-trimethoxyaconitane-4,6,8-triol
别名:O(sup 1)-Methyllappaconidine, 20-ethyl-1,14,16-trimethoxyaconitane-4,6,8-triol
IUPAC:(2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-3,8,13-triol
IUPAC:(2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-3,8,13-triol
InChI key:ZBSZKFYYJKXUHF-LBCGDGRKSA-N

分子式:C23H37NO6
分子量:423.55
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1([H])C[C@@]2([H])C33[C@H](CC[C@@]2(O)CN(CC)[C@]13[H])OC |TLB:3:21:28.27.25:16.18,10:16:21:28.27.25,16:10:3.2:7,29:28:21:16.18,2:3:31:19.18,7:5:31:19.18,8:7:10.12.13:3.2,THB:22:21:28.27.25:16.18,21:3:10.12.13:7,6:5:31:19.18,11:10:31:19.18,28:31:3.5.10:19.18,26:25:21:16.18,18:19:31.28.27:22.24.23,24:25:21:16.18,12:10:31:19.18,14:13:3.2:7|
SMILES:[H][C@]12C[C@]3([H])[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1([H])C[C@@]2([H])C33[C@H](CC[C@@]2(O)CN(CC)[C@]13[H])OC |TLB:3:21:28.27.25:16.18,10:16:21:28.27.25,16:10:3.2:7,29:28:21:16.18,2:3:31:19.18,7:5:31:19.18,8:7:10.12.13:3.2,THB:22:21:28.27.25:16.18,21:3:10.12.13:7,6:5:31:19.18,11:10:31:19.18,28:31:3.5.10:19.18,26:25:21:16.18,18:19:31.28.27:22.24.23,24:25:21:16.18,12:10:31:19.18,14:13:3.2:7|

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