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Reference substance information

IUPAC name:
Mixture of 4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene (CAS 483-76-1), (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene (CAS 39029-41-9) and (1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene (CAS 24406-05-1)
Synonyms
Names:
Mixture of alpha-Cadinene, delta-Cadinene and gamma-Cadinene

Related substances

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Identifier:
CAS number
Identity:
24406-05-1
Identifier:
CAS number
Identity:
39029-41-9
Identifier:
CAS number
Identity:
483-76-1

Molecular and structural information

Molecular formula:
(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene: C15H24
(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene: C15H24
4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene: C15H24
Molecular weight:
204.36
SMILES notation:
(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene: CC(C)[C@@H]1C\C=C(\C)[C@@H]2CCC(\C)=C/[C@@H]12
(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene: CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C
4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene: CC1=CC2C(CCC(=C2CC1)C)C(C)C
InChl:
(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene: 1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1
(1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene: 1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene: 1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
Structural formula:
Chemical structure