Name: Indaconitine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315452
Cas No:4491-19-4
常用名:Indaconitine
别名:印乌头碱
IUPAC:(2R,4R,5S,6S,8R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
IUPAC:(2R,4R,5S,6S,8R,13R,14R,16S,17S,18R)-8-(acetyloxy)-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-4-yl benzoate
InChI key:PHDZNMWTZQPAEW-PEHDTOBESA-N

分子式:C34H47NO10
分子量:629.747
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3(O)[C@H](C[C@](OC(C)=O)(C4[C@H](OC)[C@@]5([H])C11C4N(CC)C[C@]5(COC)[C@H](O)C[C@@H]1OC)C2[C@]3([H])OC(=O)c1ccccc1)OC |TLB:20:19:16.13:7.34.1,21:20:18:12.13,13:16:23.20.19:31.28.30,14:13:19:7.34.1,7:12:18:24.23.20,1:18:24.23.20:12.13,2:1:19:16.13,35:34:19:16.13,THB:31:18:24.23.20:12.13,14:13:18:24.23.20,8:7:19:16.13,37:35:1.2:7.5.6,6:7:19:16.13,28:24:18:12.13|
SMILES:[H][C@]12C[C@]3(O)[C@H](C[C@](OC(C)=O)(C4[C@H](OC)[C@@]5([H])C11C4N(CC)C[C@]5(COC)[C@H](O)C[C@@H]1OC)C2[C@]3([H])OC(=O)c1ccccc1)OC |TLB:20:19:16.13:7.34.1,21:20:18:12.13,13:16:23.20.19:31.28.30,14:13:19:7.34.1,7:12:18:24.23.20,1:18:24.23.20:12.13,2:1:19:16.13,35:34:19:16.13,THB:31:18:24.23.20:12.13,14:13:18:24.23.20,8:7:19:16.13,37:35:1.2:7.5.6,6:7:19:16.13,28:24:18:12.13|

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