epi-alpha-Selinene

  • Identifiers

    CAS mumber
    473-13-2

    Molecular formula
    C15H24

    SMILES
    CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C

    Retention indicies (RI)

    • DB5: 1520.33
    • Carbowax: 1753.0

  • Properties

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

    Molecular weight
    204.35 g/mol

  • Synonyms

    • ALPHA-SELINENE
    • 473-13-2
    • Eudesma-3,11-diene
    • alpha-Selinine
    • UNII-99ZHA8F274
    • 99ZHA8F274
    • SELINA-3,11-DIENE
    • (2R,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • (2R-(2alpha,4aalpha,8abeta))-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene
    • CHEBI:59961
    • (3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
    • a-Selinine, >85%
    • 2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R-(2alpha,4aalpha,8abeta))-
    • (-)-alpha-Selinene
    • alpha-celinene
    • Selina-4,11-diene
    • alpha-SELINENE, (-)-
    • (-)-.ALPHA.-SELINENE
    • DTXSID50963792
    • .ALPHA.-SELINENE, (-)-
    • XS174882
    • C22044
    • Q7448480
    • (2R-(2.ALPHA.,4A.ALPHA.,8A.BETA.))-1,2,3,4,4A,5,6,8A-OCTAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHENYL)NAPHTHALENE
    • NAPHTHALENE, 1,2,3,4,4A,5,6,8A-OCTAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHENYL)-, (2R,4AR,8AR)-
1 3

Botanical

Name CAS Botanical Proportion
Amyris 1 8015-65-4 Amyris balsamifera L., fam. Rutaceae 3.1%
Amyris 2 8015-65-4 Amyris balsamifera L., fam. Rutaceae 0.5%
Lime (Mexican, West Indian, Key) 5 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Ocimum gratissimum (Bangladesh) 1a Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.2%
Ocimum gratissimum (Benin) 1 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.35%
Helichrysum litoreum (Italy) 1a flower Helichrysum litoreum Guss., fam. Asteraceae (Compositae) 0.5%
Plectranthus barbatus (Brazil) 2a leaf Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 2.5%
Calyptranthes sintenisii leaf Calyptranthes sintenisii Kiaersk, fam. Myrtaceae 0.66%
Espeletia batata leaf Espeletia batata Quatrec., fam. Asteraceae (Compositae) 0.05%
Eugenia platysema (Brazil) Eugenia platysema O. Berg, fam. Myrtaceae 10.4%
Lippia lupulina flower (Brazil) Lippia lupulina Cham., fam. Verbenaceae 0.2%
Eugenia dimorpha leaf (Brazil) Eugenia dimorpha O. Berg, fam. Myrtaceae 1.0%
Aniba riparia (Brazil) 1a leaf Aniba riparia (Nees) Mez, fam. Lauraceae 0.2%
Aniba riparia (Brazil) 1b branch Aniba riparia (Nees) Mez, fam. Lauraceae 0.3%
Aniba riparia (Brazil) 1c bark wood Aniba riparia (Nees) Mez, fam. Lauraceae 0.2%
Aniba riparia (Brazil) 1d trunk wood Aniba riparia (Nees) Mez, fam. Lauraceae 0.3%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.03%