CAS Registry Number®
515-13-9
CAS Name
(-)-β-Elemene
Molecular Formula
C15H24
Molecular Mass
204.35
Compound Properties
-
Boiling Point (1)
119 °C @ Press: 15 Torr
-
Density (1)
0.8881 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hochmannova, J.; Collection of Czechoslovak Chemical Communications, (1962), 27, 1870-6, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
InChIKey
InChIKey=OPFTUNCRGUEPRZ-QLFBSQMISA-N
SMILES
C(C)(=C)[C@H]1[C@@](C=C)(C)CC[C@@H](C(C)=C)C1
Canonical SMILES
C=CC1(C)CCC(C(=C)C)CC1C(=C)C
Other Names for this Substance
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-
- β-Elemene
- Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-(-)-
- Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- (1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
- (-)-β-Elemene
- Levo-β-elemene
- β-Elemene, (-)-
- β-Elemen
Deleted or Replaced CAS Registry Numbers
11033-44-6, 20296-36-0, 154028-29-2
