Chem
J-GLOBAL ID:200907005811973566   Nikkaji number:J1.831.609I

22α-Hydroxycampest-4-en-3-one

(22S,24R)-22-ヒドロキシエルゴスタ-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: C28H46O2
Molecular formula furigana: C28-H46-O2
Molecular weight: 414.674
InChI: InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChI key: FMFAICDKESPFNH-NQMBQAPESA-N
SMILES: CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4):
  • (22S,24R)-22-ヒドロキシ-24-メチルコレスタ-4-エン-3-オン
  • (22S,24R)-22-ヒドロキシエルゴスタ-4-エン-3-オン
  • (1R,3aS,3bS,9aR,9bS,11aS)-1-[(2S,3S,5R)-3-ヒドロキシ-5,6-ジメチルヘプタン-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,9aR,9bS,11aS)-1-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-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 (4):
  • (22S,24R)-22-Hydroxy-24-methylcholesta-4-ene-3-one
  • (22S,24R)-22-Hydroxyergosta-4-ene-3-one
  • 22α-Hydroxycampest-4-en-3-one
  • (22S,24R)-22-Hydroxyergost-4-en-3-one
KEGG COMPOUND: C15796
Thsaurus map:

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