Chem
J-GLOBAL ID：200907028775829542   Nikkaji number：J2.754.725G

4α-Methylcholesta-8-ene-3β-ol

4α-メチルコレスタ-8-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： C28H48O
Molecular formula furigana： C28-H48-O
Molecular weight： 400.691
InChI： InChI=1S/C28H48O/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/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23?,24+,26+,27-,28+/m1/s1
InChI key： SCEZIHJVTBQOLS-GDNVEGMJSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)C1CC3
Systematic name  (3)：
  • 4α-メチルコレスタ-8-エン-3β-オール
  • (1R,3aR,6S,7S,9aS,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,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,6S,7S,9aS,11aR)-6,9a,11a-trimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (2)：
  • 4α-Methylcholesta-8-ene-3β-ol
  • 4alpha-Methylcholesta-8-en-3beta-ol
KEGG COMPOUND： C05110
Thsaurus map：
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