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Kauniolide

CAT: 0013-GTR19260056-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260056-04Size:10 mg
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Description
Kauniolide is a natural compound.
CAS Number
81066-45-7
Purity
>98% (HPLC)
Solubility
DMSO : 100 mg/mL (434.22 mM; ultraphonic; )
Molecular Formula
C15H18O2
Molecular Weight
230.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Kauniolide

Kauniolide has been reported in Critonia quadrangularis and Kaunia ignorata with data available.

CAS Number81066-45-7
PubChem CID11791030
IUPAC Name(3aS,9aS,9bS)-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
Molecular FormulaC15H18O2
Molecular Weight230.30
XLogP2.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity467
SMILES
CC1=C2CC=C([C@@H]2[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,12-14H,3-4,6-7H2,1-2H3/t12-,13-,14-/m0/s1
InChIKey
AVLOGKPJWQCTLP-IHRRRGAJSA-N
Chemical Structure
2D Structure
2D structure of Kauniolide
CAS: 81066-45-7
CID: 11791030
Formula: C15H18O2
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass230.130679813
Monoisotopic Mass230.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity467
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
GDA06645-01Kauniolide

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