Chem
J-GLOBAL ID：200907010431429883   Nikkaji number：J14.009K

β-Santalene

β-サンタレン
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： C15H24
Molecular formula furigana： C15-H24
Molecular weight： 204.357
InChI： InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15+/m1/s1
InChI key： PGBNIHXXFQBCPU-ILXRZTDVSA-N
SMILES： CC(=CCC[C@]1(C)[C@H]2CC[C@H](C2)C1=C)C
Systematic name  (3)：
  • (1S,2R,4R)-2-メチル-3-メチレン-2-(4-メチル-3-ペンテニル)ビシクロ[2.2.1]ヘプタン
  • (1S,2R,4R)-2-メチル-3-メチリデン-2-(4-メチルペンタ-3-エン-1-イル)ビシクロ[2.2.1]ヘプタン
  • (1S,2R,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane
Other name (5)：
  • β-サンタレン
  • β-Santalene
  • (1S,2R,4R)-2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane
  • (-)-β-サンタレン
  • (-)-β-Santalene
CAS registry number： 511-59-1
Regulation number (2)：
  • EINECS2081301
  • TSCA(511-59-1)
KEGG COMPOUND： C09718
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