Terretonin A
HIT217583850
sdf文件结构编辑类似物检索
HIT ID: HIT217583850
Cas No: 865092-86-0
分子式: C26H32O8
分子量: 472.534
常用名: Terretonin A
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S,4aR,4bS,10aS,10bS,12aS)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-1H,2H,4H,4aH,4bH,5H,7H,8H,9H,10H,10aH,10bH,11H,12H,12aH-phenanthro[1,2-c]pyran-2-carboxylate
IUPAC: methyl (2S,4aR,4bS,10aS,10bS,12aS)-6-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-1H,2H,4H,4aH,4bH,5H,7H,8H,9H,10H,10aH,10bH,11H,12H,12aH-phenanthro[1,2-c]pyran-2-carboxylate
SMILES: [H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@]3([H])[C@@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)CC[C@@]21C)C(=O)OC
SMILES: [H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@]3([H])[C@@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)CC[C@@]21C)C(=O)OC
InChI key: GTEJJXOFLPCZGJ-DJFMQIRFSA-N
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