Chem
J-GLOBAL ID：200907056448102888   Nikkaji number：J676.106B

7α,26-Dihydroxy-4-cholesten-3-one

7α,26-ジヒドロキシコレスタ-4-エン-3-オン
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： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI： InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key： KVJVJJWIEXCECB-GWUAJDSISA-N
SMILES： CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 7α,26-ジヒドロキシコレスタ-4-エン-3-オン
  • 7α,27-ジヒドロキシコレスタ-4-エン-3-オン
  • (1R,3aS,3bS,4R,9aR,9bS,11aR)-4-ヒドロキシ-1-[(2R)-7-ヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,4R,9aR,9bS,11aR)-4-hydroxy-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • 7α,26-Dihydroxycholest-4-en-3-one
  • 7α,27-Dihydroxycholest-4-en-3-one
  • 7α,26-Dihydroxy-4-cholesten-3-one
CAS registry number： 4675-38-1
KEGG COMPOUND： C17336
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