Name: Foresaconitine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314400
Cas No:73870-35-6
常用名:Foresaconitine
别名:黄草乌碱丙
IUPAC:(2R,4S,5R,6S,8R,13S,16S,17R,18R)-8-(acetyloxy)-11-ethyl-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 4-methoxybenzoate
IUPAC:(2R,4S,5R,6S,8R,13S,16S,17R,18R)-8-(acetyloxy)-11-ethyl-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 4-methoxybenzoate
InChI key:LYUPEIXJYAJCHL-KUGZJCIPSA-N

分子式:C35H49NO9
分子量:627.775
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(OC(=O)c2ccc(OC)cc2)[C@@H]2C[C@]3([H])C1[C@@](C[C@@H]2OC)(OC(C)=O)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:36:35:33:27.28,28:31:38.35.34:45.43.44,18:27:33:39.38.35,15:33:39.38.35:27.28,14:15:34:31.28,1:17:34:31.28,THB:45:33:39.38.35:27.28,40:39:33:27.28,35:34:31.28:18.17.15,29:28:33:39.38.35,29:28:34:18.17.15,23:18:34:31.28,19:18:34:31.28,43:39:33:27.28|
SMILES:[H][C@@]1(OC(=O)c2ccc(OC)cc2)[C@@H]2C[C@]3([H])C1[C@@](C[C@@H]2OC)(OC(C)=O)C1[C@H](OC)[C@@]2([H])C33C1N(CC)C[C@]2(COC)CC[C@@H]3OC |TLB:36:35:33:27.28,28:31:38.35.34:45.43.44,18:27:33:39.38.35,15:33:39.38.35:27.28,14:15:34:31.28,1:17:34:31.28,THB:45:33:39.38.35:27.28,40:39:33:27.28,35:34:31.28:18.17.15,29:28:33:39.38.35,29:28:34:18.17.15,23:18:34:31.28,19:18:34:31.28,43:39:33:27.28|

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