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Cyperotundone

CAT: 0013-GTR19156841-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156841-02Size:200 mg
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Description
Cyperotundone is a natural product from Cyperus rotundus.
CAS Number
3466-15-7
Purity
>98% (HPLC)
Smiles
O=C3C[C@@]12C (C[C@@H] (CC[C@H]1C) C2 (C) C) =C3C
Molecular Formula
C15H22O
Molecular Weight
218.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Cyperenone

cyperotundone has been reported in Cyperus rotundus and Cyperus articulatus with data available.

CAS Number3466-15-7
PubChem CID12308615
IUPAC Name(1R,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
Molecular FormulaC15H22O
Molecular Weight218.33
XLogP3.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity402
SMILES
C[C@@H]1CC[C@@H]2CC3=C(C(=O)C[C@]13C2(C)C)C
InChI
InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m1/s1
InChIKey
GIGKXOAUYMWORB-OSQNNJELSA-N
Chemical Structure
2D Structure
2D structure of Cyperenone
CAS: 3466-15-7
CID: 12308615
Formula: C15H22O
MW: 218.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.33
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.167065321
Monoisotopic Mass218.167065321
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity402
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
C09288-1mgCyperotundone

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