Name: Physapruin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316116
Cas No:155178-03-3
常用名:Physapruin A
IUPAC:(6R)-6-[(1S)-1-[(1S,3aR,3bR,6S,9aR,9bS,11aS)-1,3a,6-trihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1S)-1-[(1S,3aR,3bR,6S,9aR,9bS,11aS)-1,3a,6-trihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
InChI key:WDHSBASYULCSAT-INQWNKEXSA-N

分子式:C28H38O7
分子量:486.605
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C |c:27,t:4,23|
SMILES:[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C |c:27,t:4,23|

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