7β,25-Dihydroxycholesterol
HIT218850803
sdf文件结构编辑类似物检索
HIT ID: HIT218850803
Cas No: 64907-21-7
分子式: C27H46O3
分子量: 418.662
常用名: 7β,25-Dihydroxycholesterol
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bS,4R,7S,9aR,9bS,11aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol
IUPAC: (1R,3aS,3bS,4R,7S,9aR,9bS,11aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O
SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O
InChI key: BQMSKLCEWBSPPY-CGSQRZAOSA-N
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