Name: Cholesteryl Linolenate
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671790
Cas No:2545-22-4
常用名:Cholesteryl Linolenate
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
InChI key:FYMCIBHUFSIWCE-WVXFKAQASA-N

分子式:C45H74O2
分子量:647.085
氢键供体数 (HBD):0
氢键受体数 (HBA):1
LogP:13.837316
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |t:24|
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |t:24|

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