Fabacein
HIT214312907
sdf文件结构编辑类似物检索
HIT ID: HIT214312907
Cas No: 37710-13-7
分子式: C34H48O9
分子量: 600.749
常用名: Fabacein
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3E,6R)-6-[(2R,3aS,3bS,8S,9aR,9bR,11aR)-2-(acetyloxy)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC: (3E,6R)-6-[(2R,3aS,3bS,8S,9aR,9bR,11aR)-2-(acetyloxy)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
SMILES: CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)C1[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O |c:10|
SMILES: CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)C1[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O |c:10|
InChI key: VDSNEQABQQKTRF-KSGKENNLSA-N
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