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Panepoxydone

CAT: 0013-GTR19210545-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210545-01Size:25 mg
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Description
Panepoxydone
CAS Number
31298-54-1
Smiles
O=C1[C@@]2 ([C@@] (O2) ([C@H] (O) C=C1[C@H] (C=C (C) C) O) [H]) [H]
Molecular Formula
C11H14O4
Molecular Weight
210.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Panepoxydone

(1S,5R,6S)-5-Hydroxy-3-((S)-1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one has been reported in Lentinus connatus with data available.

CAS Number31298-54-1
PubChem CID11148494
IUPAC Name(1S,5R,6S)-5-hydroxy-3-[(1S)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP0.6
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity352
SMILES
CC(=C[C@@H](C1=C[C@H]([C@H]2[C@@H](C1=O)O2)O)O)C
InChI
InChI=1S/C11H14O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7-8,10-13H,1-2H3/t7-,8+,10-,11+/m0/s1
InChIKey
MBXKEYXHJAZKBP-GISOBZBCSA-N
Chemical Structure
2D Structure
2D structure of Panepoxydone
CAS: 31298-54-1
CID: 11148494
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area70.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity352
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

Alternative Products

CatalogName
GBA29854-01Panepoxydone

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