Chem
J-GLOBAL ID：200907073147369171   Nikkaji number：J871.316B

(22E)-24ξ-Isopropenyl-25-methylcholesta-5,22-dien-3β-ol

(22E)-24ξ-イソプロペニル-25-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： C31H50O
Molecular formula furigana： C31-H50-O
Molecular weight： 438.740
InChI： InChI=1S/C31H50O/c1-20(2)25(29(4,5)6)12-9-21(3)26-13-14-27-24-11-10-22-19-23(32)15-17-30(22,7)28(24)16-18-31(26,27)8/h9-10,12,21,23-28,32H,1,11,13-19H2,2-8H3/b12-9+/t21-,23+,24+,25?,26-,27+,28+,30+,31-/m1/s1
InChI key： XKEISTFYSMCXHM-OFRXCCBTSA-N
SMILES： C[C@H](/C=C/C(C(=C)C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (22E,24ξ)-25,28-ジメチル-28-メチレンエルゴスタ-5,22-ジエン-3β-オール
  • (22E)-24ξ-イソプロペニル-25-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-tert-ブチル-6-メチルヘプタ-3,6-ジエン-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-tert-butyl-6-methylhepta-3,6-dien-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 (2)：
  • (22E,24ξ)-25,28-Dimethyl-28-methyleneergosta-5,22-dien-3β-ol
  • (22E)-24ξ-Isopropenyl-25-methylcholesta-5,22-dien-3β-ol
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