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J-GLOBAL ID：200907031283497251   Nikkaji number：J126.773F

4α-Methylfecosterol

4α-メチルフェコステロール
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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： C29H48O
Molecular formula furigana： C29-H48-O
Molecular weight： 412.702
InChI： InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1
InChI key： QLDNWJOJCDIMKK-XLFBYWHPSA-N
SMILES： CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3
Systematic name  (4)：
  • 4α-メチル-24-メチレン-5α-コレスタ-8-エン-3β-オール
  • 4α-メチル-5α-エルゴスタ-8,24(28)-ジエン-3β-オール
  • (1R,3aR,5aS,6S,7S,9aS,11aR)-6,9a,11a-トリメチル-1-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オール
  • (1R,3aR,5aS,6S,7S,9aS,11aR)-6,9a,11a-trimethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (5)：
  • 24,25-ジヒドロ-4α-メチル-24-メチレンジモステロール
  • 24,25-Dihydro-4α-methyl-24-methylenezymosterol
  • 4α-Methyl-5α-ergosta-8,24(28)-dien-3β-ol
  • 4α-メチルフェコステロール
  • 4α-Methylfecosterol
CAS registry number： 17757-07-2
KEGG COMPOUND： C15776
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