Name: 3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214315576
Cas No:244277-75-6
常用名:3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
常用名:3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
IUPAC:(2S,3S,3aR,4R,6R,8R,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,13H,13aH-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
IUPAC:(2S,3S,3aR,4R,6R,8R,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H,2H,3H,3aH,4H,5H,6H,7H,8H,9H,12H,13H,13aH-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate
InChI key:TXGHOMTZFCIHDL-JLACXKQRSA-N

分子式:C34H43NO11
分子量:641.714
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)[C@@H](C[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O)OC(=O)c1cccnc1 |t:20|
SMILES:[H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)[C@@H](C[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O)OC(=O)c1cccnc1 |t:20|

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one是一种天然产物，属于大戟科大戟属，其产品编号为 TN2890，CAS号为 244277-75-6。3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one可用作对照参考。

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