Cholesteryl stearate
HIT213029126
sdf文件结构编辑类似物检索
HIT ID: HIT213029126
Cas No: 35602-69-8
分子式: C45H80O2
分子量: 653.133
常用名: Cholesteryl stearate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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 octadecanoate
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 octadecanoate
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C |c:38|
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C |c:38|
InChI key: XHRPOTDGOASDJS-XNTGVSEISA-N
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