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(-)-alpha-Cedrene (contains (+)-beta-cedrene)

CAT: 0572-TRC-C364863-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364863-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
469-61-4
Synonyms
1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aS,7S,8aS)-; 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3a,3aß,7ß,8aa)]-; Cedr-8-ene (8CI); a-Cedrene (6CI,7CI); (3R,3aS,7S,8aS)-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene; (-)-Cedrene; (-)-a-Cedrene; Levo-a-cedrene; [3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
Hazard Statement
Causes skin irritation; UN number: UN3082; Packing Group: III
Smiles
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C
Molecular Formula
C15 H24
Molecular Weight
204.35
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(-)-Cedrene

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.

CAS Number469-61-4
PubChem CID6431015
IUPAC Name(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity323
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
InChIKey
IRAQOCYXUMOFCW-OSFYFWSMSA-N
Chemical Structure
2D Structure
2D structure of (-)-Cedrene
CAS: 469-61-4
CID: 6431015
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity323
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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