Name: Forrestiacids J
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851519
Cas No:2920898-66-2
常用名:Forrestiacids J
IUPAC:(1S,4R,5R,9R,10R,12R,14S)-14-[(4R)-4-[(1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxopentyl]-5,9-dimethyl-16-(propan-2-yl)tetracyclo[10.2.2.0^{1,10}.0^{4,9}]hexadec-15-ene-5,14-dicarboxylic acid
IUPAC:(1S,4R,5R,9R,10R,12R,14S)-14-[(4R)-4-[(1R,3aR,5aR,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxopentyl]-5,9-dimethyl-16-(propan-2-yl)tetracyclo[10.2.2.0^{1,10}.0^{4,9}]hexadec-15-ene-5,14-dicarboxylic acid
InChI key:IZILWYMYBAFTLI-AUSANYSVSA-N

分子式:C50H74O6
分子量:771.136
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC(=O)C[C@]1(C[C@@]2([H])C[C@]3([H])[C@@]4(C)CCC[C@@](C)(C(O)=O)[C@]4([H])CC[C@@]13C=C2C(C)C)C(O)=O
SMILES:[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC(=O)C[C@]1(C[C@@]2([H])C[C@]3([H])[C@@]4(C)CCC[C@@](C)(C(O)=O)[C@]4([H])CC[C@@]13C=C2C(C)C)C(O)=O

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