Chem
J-GLOBAL ID：200907026173874315   Nikkaji number：J1.817.123F

4α-Methylzymosterol-4-carboxylate

4-メチルジモステロール-4-カルボン酸
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： C29H46O3
Molecular formula furigana： C29-H46-O3
Molecular weight： 442.684
InChI： InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1
InChI key： MYWAIWDQTCHPTH-LJAIZBFVSA-N
SMILES： C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(=O)O
Systematic name  (3)：
  • 3β-ヒドロキシ-4-メチル-5α-コレスタ-8,24-ジエン-4α-カルボン酸
  • (1R,3aR,5aR,6S,7S,9aS,11aR)-7-ヒドロキシ-6,9a,11a-トリメチル-1-[(2R)-6-メチルヘプタ-5-エン-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-6-カルボン酸
  • (1R,3aR,5aR,6S,7S,9aS,11aR)-7-hydroxy-6,9a,11a-trimethyl-1-[(2R)-6-methylhept-5-en-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-6-carboxylic acid
Other name (6)：
  • 3β-Hydroxy-4-methyl-5α-cholesta-8,24-diene-4α-carboxylic acid
  • 4-メチルジモステロール-4-カルボン酸
  • 4-Methylzymosterol-4-carboxylic acid
  • 4α-Methylzymosterol-4-carboxylate
  • 4α-メチルチモステロール-4-カルボン酸
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KEGG COMPOUND： C15808
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