Name: Lanosteryl caprylate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716773
Cas No:124770-75-8
常用名:Lanosteryl caprylate
IUPAC:(1R,3aR,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl octanoate
IUPAC:(1R,3aR,5aR,7S,9aS,11aR)-3a,6,6,9a,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl octanoate
InChI key:JMQFHDCHYOCPQA-VRRDTQDMSA-N

分子式:C38H64O2
分子量:552.928
氢键供体数 (HBD):0
氢键受体数 (HBA):1
LogP:11.0711775
SMILES:[H][C@@]12[#6]-[#6]-[#6]3=[#6](-[#6]-[#6][C@]4([#6])[#6@H](-[#6]-[#6][C@@]34[#6])-[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])C2([#6])[#6] |t:4|
SMILES:[H][C@@]12[#6]-[#6]-[#6]3=[#6](-[#6]-[#6][C@]4([#6])[#6@H](-[#6]-[#6][C@@]34[#6])-[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]-[#6@H](-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])C2([#6])[#6] |t:4|

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