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Kobusone

CAT: 0013-GTR19181195Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181195Size:5 mg
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Description
Kobusone (CAS 24173-71-5) is a sesquiterpene natural product isolated from Cyperus species. It serves as a phytochemical reference standard in research, particularly for studies in plant chemistry and the in vitro evaluation of bioactive compounds.
CAS Number
24173-71-5
Smiles
C[C@@]12CC[C@@H]3[C@@H] (CC3 (C) C) C (=O) CC[C@H]1O2
Molecular Formula
C14H22O2
Molecular Weight
222.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kobusone

(1R,4R,6R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one has been reported in Neolitsea hiiranensis with data available.

CAS Number24173-71-5
PubChem CID6710676
IUPAC Name(1R,4R,6R,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecan-9-one
Molecular FormulaC14H22O2
Molecular Weight222.32
XLogP2.3
Topological Polar Surface Area29.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity334
SMILES
C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=O)CC[C@H]1O2
InChI
InChI=1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+/m0/s1
InChIKey
UETZJEZFLKASPR-UZWIWUQPSA-N
Chemical Structure
2D Structure
2D structure of Kobusone
CAS: 24173-71-5
CID: 6710676
Formula: C14H22O2
MW: 222.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.32
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass222.161979940
Monoisotopic Mass222.161979940
Topological Polar Surface Area29.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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