Compound: ALPHA-CEDRENE
SMILES: C1(=CC[C@@]23[C@@H](CC[C@H]3C([C@H]1C2)(C)C)C)C
InChIKey: IRAQOCYXUMOFCW-OSFYFWSMSA-N
Synonyms: ALPHA-CEDRENE, 469-61-4, (-)-cedrene, Levo-alpha-cedrene, 50D4A81G8T, J5.927G, 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-, (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene, (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo(5.3.1.01,5)undec-8-ene, RefChem:555429, 207-418-4, (1S,4aS,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylene-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde, (-)-alpha-cedrene, Cedr-8-ene, .alpha.-Cedrene, 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,(3R,3aS,7S,8aS)-, (-)-.alpha.-Cedrene, MFCD00063003, DTXSID0047032, [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene, (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene, alpha-cederene, (3R,3aS,7S,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene, Laevo-alpha-cedrene, (?)-|A-Cedrene, (-)-a-Cedrene (major, contains (+)-b-cedrene), UNII-50D4A81G8T, (1S,2R,5S)-2,6,6,8-Tetramethyltricyclo[5.3.1.01.5]undec-8-ene, ()-alpha-Cedrene, (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene, 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-, EINECS 207-418-4, Di-epi-alpha-cedrene, (-)--Cedrene, BRN 3196861, (-)- alpha -Cedrene, 1,7-diepi-alpha-cedrene, ?-Cedrene, sum of isomers, LEVO-.ALPHA.-CEDRENE, 3-05-00-01095 (Beilstein Handbook Reference), SCHEMBL538361, orb1299062, SCHEMBL21646092, CHEBI:10216, DTXCID801022504, Tox21_302305, a-Cedrene 100 microg/mL in Methanol, AKOS030503768, EBC-616414, LMPR0103690006, NCGC00256204-01, BS-42448, CAS-469-61-4, FC172232, HY-135190, CS-0109773, C22909, Q27108601, (-)-alpha-Cedrene, >=95.0% (sum of enantiomers, GC), (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0,1,5]undec-8-ene, (3R,3AS,7S,8AS)-2,3,4,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULENE, (3R-(3.ALPHA.,3A.BETA.,7.BETA.,8A.ALPHA.))-2,3,4,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULENE, 1H-3a,7-methanoazulene,2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,[3R-(3alpha,3abeta,7beta,8aalpha)]-
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: 0
heavy_atom_count: 15
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Cedr-8-ene is a sesquiterpene that is cedrane which has a double bond between positions 8 and 9. It has a role as a volatile oil component and a human urinary metabolite. It is a sesquiterpene, a polycyclic olefin, a bridged compound and a carbotricyclic compound. It derives from a hydride of a cedrane.
chebi: A sesquiterpene that is cedrane which has a double bond between positions 8 and 9.
wikipedia: Cedrene is a sesquiterpene found in the essential oil of cedar. The two isomers present in the oil are (−)-α-cedrene and (+)-β-cedrene, which differ in the position of a double bond.