Compound: BETA-ELEMENE
SMILES: C(=C)([C@H]1[C@](C=C)(CC[C@H](C1)C(=C)C)C)C
InChIKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N
Synonyms: BETA-ELEMENE, (1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane, 2QG8CX6LXD, (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane, RefChem:29982, CHEBI:62854, 251-713-0, 515-13-9, (-)-beta-Elemene, beta-Elemen, Levo-beta-elemene, (1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane, (+/-)-beta-Elemene, b-Elemen, 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, (-)-b-Elemene, CHEBI:62855, Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-, (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane, (1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane, (1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane, (1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane, Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (-)-.beta.-Elemene, beta-Elemene, (-)-, UNII-2QG8CX6LXD, b-elemene, ss-Elemene, Levo-b-elemene, trans-beta-elemene, (E)-beta-elemene, ( inverted exclamation markA)-|A-Elemene, E- .beta.-Elemene, 1,3,11-Elematriene, |A-Elemene (Standard), Beta elemene [WHO-DD], Epitope ID:153551, Elemene - mixture of isomers, (-)-?-ELEMENE, CHEMBL448502, ELEMENE, (-)-BETA-, orb1308896, SCHEMBL28055598, (-)-b-Elemene, levo-b-Elemene, DTXSID40865690, DTXSID60881211, SDP-111, Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1alpha,2beta,4beta)-, OPFTUNCRGUEPRZ-QLFBSQMISA-N, ELEMENE, (-)-.BETA.-, GLXC-06918, diisopropenyl methylvinyl cyclohexane, beta-Elemene (10mg/ml in ethanol), EBC-08489, s6957, AKOS028108977, (-)-beta-Elemene, analytical standard, FE65904, HY-107324R, Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-, AS-82909, DA-61622, FE168536, HY-107324, CS-0028143, NS00096333, C17094, E79113, cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl, EN300-1709739, BRD-K21045639-001-01-2, Q27132237, cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl), (1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane, cyclohexane, 1-ethenyl-1-methyl-2,4-bis (1-methylethenyl)-, Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-, (1alpha,2beta,4beta)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane, [1S-(1alpha,2beta,4beta)]-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-[1S-(1alpha,2beta,4beta)]-cyclohexane, cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1alpha,2alpha,4alpha)]-, cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1alpha,2beta,4beta)], Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1alpha,2beta,4beta)]-
Theoretical properties:
molecular_formula: C15H24
molecular_weight: 204.35 g/mol
exact_mass: 204.187800766 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 3
heavy_atom_count: 15
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (-)-beta-elemene is the ()-enantiomer of beta-elemene that has (1S,2S,4R)-configuration. It has a role as an antineoplastic agent.
chebi: The (−)-enantiomer of β-elemene that has (1<i>S</i>,2<i>S</i>,4<i>R</i>)-configuration.
wikipedia: Elemenes are a group of closely related natural chemical compounds found in a variety of plants.  The elemenes, which include α-, β-, γ-, and δ-elemene, are structural isomers of each other and are classified as sesquiterpenes.  The elemenes contribute to the floral aromas of some plants, and are used as pheromones by some insects.