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α-Bulnesene

CAT: 1299-RG-A262623-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A262623-04Size:100 mg
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CAS Number
3691-11-0
Synonyms
δ-Guaiene; δ-Bulnesene; (3S,3aS,5R) -3,8-dimethyl-5- (prop-1-en-2-yl) -1,2,3,3a,4,5,6,7-octahydroazulene
Molecular Formula
C15H24
Molecular Weight
204.36
Target Alternative Name
Alaskene
Product Name Synonym
δ-Guaiene; δ-Bulnesene; (3S,3aS,5R) -3,8-dimethyl-5- (prop-1-en-2-yl) -1,2,3,3a,4,5,6,7-octahydroazulene

Chemical Information

alpha-Bulnesene

Delta-guaiene is a carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R enantiomer). It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a sesquiterpene and a carbobicyclic compound.

CAS Number3691-11-0
PubChem CID94275
IUPAC Name(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity295
SMILES
C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=C)C)C
InChI
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
InChIKey
YHAJBLWYOIUHHM-GUTXKFCHSA-N
Chemical Structure
2D Structure
2D structure of alpha-Bulnesene
CAS: 3691-11-0
CID: 94275
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 Count1
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity295
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
HY-N12995α-Bulnesene
HY-N12663β-Bulnesene
469333-01α-Bulnesene-D4
AR-A05839-01Alfa-Bulnesene
TRC-B942760-1MGAlpha-Bulnesene (>90%)
TRC-B942762-10MGalpha-Bulnesene-D4

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