Name: Acrihellin
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212709975
Cas No:67696-82-6
常用名:Acrihellin
别名:Acrihellinum
IUPAC:(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylbut-2-enoate
IUPAC:(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylbut-2-enoate
InChI key:RIOSSPWEPWYRLD-SBQWKNPYSA-N

分子式:C29H38O7
分子量:498.616
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:3.138492
SMILES:[H][C@@]12[#6]-[#6][C@]3([#8])[#6]-[#6@H](-[#6]-[#6][C@]3([#6]=O)[C@@]1([H])[#6]-[#6][C@]1([#6])[#6@H](-[#6]-[#6][C@]21[#8])-c1ccc(=O)oc1)-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
SMILES:[H][C@@]12[#6]-[#6][C@]3([#8])[#6]-[#6@H](-[#6]-[#6][C@]3([#6]=O)[C@@]1([H])[#6]-[#6][C@]1([#6])[#6@H](-[#6]-[#6][C@]21[#8])-c1ccc(=O)oc1)-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6]

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