Chem
J-GLOBAL ID：200907084302056900   Nikkaji number：J46.060E

Cholesta-3,5-diene

コレスタ-3,5-ジエン
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： C27H44
Molecular formula furigana： C27-H44
Molecular weight： 368.649
InChI： InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： RLHIRZFWJBOHHD-HKQCOZBKSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • 3,5-コレスタジエン
  • コレスタ-3,5-ジエン
  • コレスタン-3,5-ジエン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene
Other name (3)：
  • Cholesta-3,5-diene
  • Cholestane-3,5-diene
  • 3,5-Cholestadiene
CAS registry number： 747-90-0
Regulation number (2)：
  • FZ5600000
  • EINECS2120214
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