Chem
J-GLOBAL ID：200907004786996584   Nikkaji number：J14.710I

7-Ketocholesterol

7-ケトコレステロール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H44O2
Molecular formula furigana： C27-H44-O2
Molecular weight： 400.647
InChI： InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChI key： YIKKMWSQVKJCOP-ABXCMAEBSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
Systematic name  (3)：
  • 3β-ヒドロキシコレスタ-5-エン-7-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-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-4-one
Other name (8)：
  • 7-ケトコレステロール
  • 7-オキソコレステロール
  • 7-Oxocholesterol
  • 7-Ketocholesterol
  • SC-4722
Show all
CAS registry number： 566-28-9
Regulation number (1)：
  • FZ8708000
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