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Caparratriene

CAT: 0013-GTR19209747-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209747-03Size:100 mg
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Description
Caparratriene is a sesquiterpene compound isolated from Ocotea caparrapi. It has demonstrated significant growth inhibitory activity against CEM leukemia cells in vitro, making it a candidate for anticancer research and pharmacological studies.
CAS Number
172549-29-0
Smiles
[C@H] (C/C=C/C (=C/C) /C) (CCC=C (C) C) C
Molecular Formula
C15H26
Molecular Weight
206.37
Storage Conditions
-20°C
Notes
For research use only.

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
MBS5812782Caparratriene

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