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α-Selinene

CAT: 0804-HY-N11261-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11261-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
α-Selinene is a natural product that can be extracted from Psidium guajava L.. α-Selinene is a sesquiterpene compound with volatility[1].
CAS Number
473-13-2
UNSPSC
12352211
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
C[C@]12[C@@](C(C)=CCC2)([H])C[C@@H](CC1)C(C)=C
Molecular Formula
C15H24
Molecular Weight
204.35
References & Citations
[1]Sagrero‐Nieves L, et al. Supercritical fluid extraction of the volatile components from the leaves of Psidium guajava L. (guava) [J]. Flavour and fragrance journal, 1994, 9 (3) : 135-137.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

alpha-Selinene

Alpha-selinene is an isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic (2R,4aR,8aR)-configuration.. It has a role as a plant metabolite. It is a member of octahydronaphthalenes and a selinene.

CAS Number473-13-2
PubChem CID10856614
IUPAC Name(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity297
SMILES
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKey
OZQAPQSEYFAMCY-QLFBSQMISA-N
Chemical Structure
2D Structure
2D structure of alpha-Selinene
CAS: 473-13-2
CID: 10856614
Formula: C15H24
MW: 204.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.35
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
469756β-Selinene
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TRC-S253185-50MGb-Selinene, (~90%)
T124314-014 (15) -Selinene-11,12-diol
MBS57898244(15)-Selinene-11,12-diol
MBS1355434Recombinant Ocimum basilicum Selinene synthase (SES), partial
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