Name: Teuscorodol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525279
Cas No:85563-66-2
常用名:Teuscorodol
IUPAC:[(1R,2R,4R,4aR,5'S,8aS)-5'-(furan-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyl-2'-oxo-3,4,4a,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolan]-4a-yl]methyl acetate
IUPAC:[(1R,2R,4R,4aR,5'S,8aS)-5'-(furan-3-yl)-4-hydroxy-5-(hydroxymethyl)-2-methyl-2'-oxo-3,4,4a,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolan]-4a-yl]methyl acetate
InChI key:JQSCZBBCRBNAGD-NGVMEMQTSA-N

分子式:C22H28O7
分子量:404.459
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:1.16
SMILES:[H][C@]12CCC=C(CO)[C@]1(COC(C)=O)[C@H](O)C[C@@H](C)[C@]21C[C@H](OC1=O)c1ccoc1 |t:4|
SMILES:[H][C@]12CCC=C(CO)[C@]1(COC(C)=O)[C@H](O)C[C@@H](C)[C@]21C[C@H](OC1=O)c1ccoc1 |t:4|

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