Chem
J-GLOBAL ID：200907007179157769   Nikkaji number：J82.699E

3α,7α-Dihydroxy-5β-cholest-26-oic acid

3α,7α-ジヒドロキシ-5β-コレスタン酸
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： C27H46O4
Molecular formula furigana： C27-H46-O4
Molecular weight： 434.661
InChI： InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChI key： ITZYGDKGRKKBSN-HKFUITGCSA-N
SMILES： C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 3α,7α-ジヒドロキシ-5β-コレスタ-26-酸
  • 3α,7α-ジヒドロキシ-5β-コレスタン-26-酸
  • (6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-メチルヘプタン酸
  • (6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
Other name (5)：
  • 3α,7α-Dihydroxy-5β-cholestan-26-oic acid
  • 3α,7α-Dihydroxy-5β-cholest-26-oic acid
  • 3alpha,7alpha-Dihydroxy-5beta-cholestanate
  • 3alpha,7alpha-Dihydroxy-5beta-cholestanoate
  • 3α,7α-ジヒドロキシ-5β-コレスタン酸
CAS registry number： 17974-66-2
KEGG COMPOUND： C04554
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