Name: Persianone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884635
Cas No:170894-20-9
常用名:Persianone
IUPAC:(2S,4aS,8aS)-2-{[(2R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-decahydronaphthalen-2-yl]oxy}-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-one
IUPAC:(2S,4aS,8aS)-2-{[(2R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxo-decahydronaphthalen-2-yl]oxy}-4-[2-(furan-3-yl)ethyl]-3,4a,8,8-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-one
InChI key:JGQYOTZPAZMNBZ-LRVPTYLMSA-N

分子式:C40H56O6
分子量:632.882
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1[C@@H](O[C@H]2C(C)=C(CCc3ccoc3)[C@@]3(C)CCCC(C)(C)[C@@H]3C2=O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 |t:6|
SMILES:C[C@@H]1[C@@H](O[C@H]2C(C)=C(CCc3ccoc3)[C@@]3(C)CCCC(C)(C)[C@@H]3C2=O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1 |t:6|

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