Name: Butyrospermol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317366
Cas No:472-28-6
常用名:Butyrospermol
IUPAC:(1S,3aS,5aR,7S,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(1S,3aS,5aR,7S,9aR,9bR,11aS)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:DICCPNLDOZNSML-XGKJEQFASA-N

分子式:C30H50O
分子量:426.729
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |t:6|
SMILES:[H][C@]1([#6]-[#6][C@]2([#6])[#6]3=[#6]-[#6][C@@]4([H])C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]4([#6])[C@@]3([H])[#6]-[#6][C@@]12[#6])[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |t:6|

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