Chem
J-GLOBAL ID：200907052849064908   Nikkaji number：J2.754.657I

4β-Hydroxymethyl-4α-methyl-5α-cholesta-7-ene-3β-ol

4β-ヒドロキシメチル-4α-メチル-5α-コレスタ-7-エン-3β-オール
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： C29H50O2
Molecular formula furigana： C29-H50-O2
Molecular weight： 430.717
InChI： InChI=1S/C29H50O2/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/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1
InChI key： DWEXIFLNCXYYAA-QQHSWTODSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4β-ヒドロキシメチル-4α-メチル-5α-コレスタ-7-エン-3β-オール
  • (1R,3aR,5aR,6S,7S,9aR,9bR,11aR)-6-(ヒドロキシメチル)-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-オール
  • (1R,3aR,5aR,6S,7S,9aR,9bR,11aR)-6-(hydroxymethyl)-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-ol
Other name (1)：
  • 4β-Hydroxymethyl-4α-methyl-5α-cholesta-7-ene-3β-ol
KEGG COMPOUND： C04814
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