Chem
J-GLOBAL ID：200907040724524577   Nikkaji number：J2.774.821J

3β-Hydroxy-4β-methyl-5α-cholesta-7-ene-4-carbaldehyde

3β-ヒドロキシ-4β-メチル-5α-コレスタ-7-エン-4-カルボアルデヒド
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： C29H48O2
Molecular formula furigana： C29-H48-O2
Molecular weight： 428.701
InChI： InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1
InChI key： HCOOTBJPHHNRCV-AQTSNUJDSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C=O)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3β-ヒドロキシ-4β-メチル-5α-コレスタ-7-エン-4-カルボアルデヒド
  • (1R,3aR,5aR,6S,7S,9aR,9bR,11aR)-7-ヒドロキシ-6,9a,11a-トリメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-6-カルバルデヒド
  • (1R,3aR,5aR,6S,7S,9aR,9bR,11aR)-7-hydroxy-6,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carbaldehyde
Other name (2)：
  • 3β-Hydroxy-4β-methyl-5α-cholesta-7-ene-4-carbaldehyde
  • 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
KEGG COMPOUND： C11509
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