Name: Withasomniferolide A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583813
Cas No:2365386-74-7
常用名:Withasomniferolide A
IUPAC:(6R)-6-[(1R)-1-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1R)-1-[(1R,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
InChI key:JRBQPTFYQRGHFB-JLLNYYHVSA-N

分子式:C28H36O4
分子量:436.592
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)[C@@]1([H])CC(C)=C(CO)C(=O)O1
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)[C@@]1([H])CC(C)=C(CO)C(=O)O1

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