Chem
J-GLOBAL ID：200907016778014649   Nikkaji number：J2.756.020B

(20S)-Cholesta-5-ene-3β,17,20-triol

17α,20α-ジヒドロキシコレステロール
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： C27H46O3
Molecular formula furigana： C27-H46-O3
Molecular weight： 418.662
InChI： InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21+,22-,23-,24-,25-,26-,27+/m0/s1
InChI key： PRZXKPDANWDCNC-LUWBJXLVSA-N
SMILES： CC(C)CCC[C@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (20S)-コレスタ-5-エン-3β,17,20-トリオール
  • (1R,3aS,3bR,7S,9aR,9bS,11aS)-1-[(2S)-2-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,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1R,3aS,3bR,7S,9aR,9bS,11aS)-1-[(2S)-2-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-1,7-diol
Other name (3)：
  • (20S)-Cholesta-5-ene-3β,17,20-triol
  • 17alpha,20alpha-Dihydroxycholesterol
  • 17α,20α-ジヒドロキシコレステロール
KEGG COMPOUND： C05499
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