Chem
J-GLOBAL ID：200907036365278991   Nikkaji number：J2.751.152J

4α-Methyl-5α-cholesta-7-ene-3-one

4α-メチル-5α-コレスタ-7-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： C28H46O
Molecular formula furigana： C28-H46-O
Molecular weight： 398.675
InChI： InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1
InChI key： OWKGVPXWOHLTSL-LIUJFMQASA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4α-メチル-5α-コレスタ-7-エン-3-オン
  • (1R,3aR,5aS,6S,9aS,9bR,11aR)-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-7-オン
  • (1R,3aR,5aS,6S,9aS,9bR,11aR)-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]phenanthren-7-one
Other name (2)：
  • 4α-Methyl-5α-cholesta-7-ene-3-one
  • 4alpha-Methyl-5alpha-cholest-7-en-3-one
KEGG COMPOUND： C04453
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