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β-Bisabolene

CAT: 0013-GTR19188978-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188978-02Size:25 mg
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Description
β-Bisabolene is a cytotoxic sesquiterpene that induces apoptosis in breast cancer cell lines such as MCF-10A, MDA-MB-231, and BT474. It is a compound of interest for in vitro cancer research, particularly in studies investigating natural product-based chemotherapeutic agents.
CAS Number
495-61-4
Product Name Alternative
B-Bisabolene
Field of Research
Cell Biology
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (16.15 mM) ; DMSO:80 mg/mL (391.49 mM)
Smiles
C (CCC=C (C) C) (=C) [C@H]1CCC (C) =CC1
Molecular Formula
C15H24
Molecular Weight
204.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Beta-Bisabolene

(S)-beta-bisabolene is a beta-bisabolene which has (1S)-configuration. It is an enantiomer of a (R)-beta-bisabolene.

CAS Number495-61-4
PubChem CID10104370
IUPAC Name(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
Molecular FormulaC15H24
Molecular Weight204.35
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
CC1=CC[C@H](CC1)C(=C)CCC=C(C)C
InChI
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
InChIKey
XZRVRYFILCSYSP-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Beta-Bisabolene
CAS: 495-61-4
CID: 10104370
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 Count4
Exact Mass204.187800766
Monoisotopic Mass204.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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