Isocomene

  • Identifiers

    CAS mumber
    65372-78-3

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@]2([C@]13CCC[C@]3(C=C2C)C)C

    Retention indicies (RI)

    • DB5: 1387.0

  • Properties

    XLogP3-AA
    5.1 Well soluble in BB, IPM, DOA

    Molecular weight
    204.35 g/mol

  • Synonyms

    • (-)-alpha-isocomene
    • Berkheyaradulene
    • CHEBI:68666
    • (1R,3aS,5aS,8aR)-1,3a,4,5a-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
    • 65372-78-3
    • Cyclopenta(a)pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (S-(1alpha,3aalpha,5abeta,8aR*))-
    • Isocomene, (+/-)-
    • UF2Y987D5F
    • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo(6.3.0.01,5)undec-6-ene
    • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
    • (1R,3aS,5aS,8aR)-1,3a,4,5a-Tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta(c)pentalene
    • (+/-)-Isocomene
    • C20477
    • Q27137092
    • CYCLOPENTA(C)PENTALENE, 1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYL-, (1.ALPHA.,3A.ALPHA.,5A.BETA.,8AR*)-
    • CYCLOPENTA(C)PENTALENE, 1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYL-, (1.ALPHA.,3A.ALPHA.,5A.BETA.,8AR*)-(+/-)-
    • REL-(1R,3AS,5AS,8AR)-1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYLCYCLOPENTA(C)PENTALENE
1 3

Botanical

Name CAS Botanical Proportion
Eugenia ovalifolia leaf Eugenia ovalifolia Camb., fam. Myrtaceae 0.7%
Porophyllum ruderale (Brazil) 1b root Porophyllum ruderale Sass, fam. Asteraceae (Compositae) 16.8%
Calamus (Turkey) Acorus calamus L., fam. Araceae 0.4%
Conyza bonariensis (Brazil) Conyza bonariensis (L.) Cronquist, fam. Asteraceae (Compositae) 0.1%