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Caparratriene

CAT: 0931-T70240-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70240-02Size:50 mg
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CAS Number
172549-29-0
Target
Others
Related Pathways
Others
Bioactivity
Caparratriene is a new sesquiterpene hydrocarbon isolated from Ocotea caparrapi with potential for significant growth inhibitory activityagainst CEM leukemia cells
Smiles
[C@H](C/C=C/C(=C/C)/C)(CCC=C(C)C)C
Molecular Formula
C15H26
Molecular Weight
206.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Caparratriene

(2E,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene has been reported in Mespilodaphne cymbarum with data available.

CAS Number172549-29-0
PubChem CID6442208
IUPAC Name(2E,4E,7R)-3,7,11-trimethyldodeca-2,4,10-triene
Molecular FormulaC15H26
Molecular Weight206.37
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
C/C=C(\C)/C=C/C[C@H](C)CCC=C(C)C
InChI
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,8-10,15H,7,11-12H2,1-5H3/b10-8+,14-6+/t15-/m1/s1
InChIKey
GIBJEWOSWWYJSK-WNMJCELSSA-N
Chemical Structure
2D Structure
2D structure of Caparratriene
CAS: 172549-29-0
CID: 6442208
Formula: C15H26
MW: 206.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.37
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass206.203450829
Monoisotopic Mass206.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19209747-01Caparratriene

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