Chem
J-GLOBAL ID：200907053168967221   Nikkaji number：J2.019.376J

(22E)-24ξ-Ethyl-24-methylcholesta-5,22-diene-3β-ol

(22E)-24ξ-エチル-24-メチルコレスタ-5,22-ジエン-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： C30H50O
Molecular formula furigana： C30-H50-O
Molecular weight： 426.729
InChI： InChI=1S/C30H50O/c1-8-28(5,20(2)3)16-13-21(4)25-11-12-26-24-10-9-22-19-23(31)14-17-29(22,6)27(24)15-18-30(25,26)7/h9,13,16,20-21,23-27,31H,8,10-12,14-15,17-19H2,1-7H3/b16-13+/t21-,23+,24+,25-,26+,27+,28?,29+,30-/m1/s1
InChI key： ROHWXHQLSICXOM-MUPYOLGQSA-N
SMILES： CCC(C)(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (3)：
  • (22E)-24ξ-エチル-24-メチルコレスタ-5,22-ジエン-3β-オール
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E)-5-エチル-5,6-ジメチルヘプタ-3-エン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,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,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E)-5-ethyl-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (1)：
  • (22E)-24ξ-Ethyl-24-methylcholesta-5,22-diene-3β-ol
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