Name: Karacoline
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314543
Cas No:39089-30-0
常用名:Karacoline
别名:多根乌头碱
IUPAC:(2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,8,16-triol
IUPAC:(2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecane-4,8,16-triol
InChI key:HKQZUYOVMYOFIT-DYAKWKRLSA-N

分子式:C22H35NO4
分子量:377.525
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H]3[C@H](O)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@H]1C[C@H]3C22[C@@H](O)CC[C@@]3(C)CN(CC)[C@]12[H] |TLB:26:25:17:14.15,8:14:17:22.24.25,1:17:14.15:22.24.25,THB:18:17:14.15:22.24.25,15:16:28.24.25:18.21.20,22:16:28:8.6.1,23:22:17:14.15,21:22:17:14.15|
SMILES:[H][C@@]12C[C@H]3[C@H](O)[C@]1([H])[C@](O)(C[C@@H]3OC)[C@H]1C[C@H]3C22[C@@H](O)CC[C@@]3(C)CN(CC)[C@]12[H] |TLB:26:25:17:14.15,8:14:17:22.24.25,1:17:14.15:22.24.25,THB:18:17:14.15:22.24.25,15:16:28.24.25:18.21.20,22:16:28:8.6.1,23:22:17:14.15,21:22:17:14.15|

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