3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
HIT214315576
sdf文件结构编辑类似物检索
HIT ID: HIT214315576
Cas No: 244277-75-6
分子式: C34H43NO11
分子量: 641.714
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
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: TXGHOMTZFCIHDL-JLACXKQRSA-N
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