Lanosteryl acetate
HIT212716777
sdf文件结构编辑类似物检索
HIT ID: HIT212716777
Cas No: 2671-68-3
分子式: C32H52O2
分子量: 468.766
常用名: Lanosteryl acetate
氢键受体数 (HBA): 1
氢键供体数 (HBD): 0
LogP: 8.147798
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 acetate
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 acetate
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](-[#6])=O)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](-[#6])=O)C2([#6])[#6] |t:4|
InChI key: BQPPJGMMIYJVBR-VBGFMNGASA-N
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