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Zhebeiresinol

CAT: 0013-GTR19219172-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219172-01Size:5 mg
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Description
Zhebeiresinol is a bioactive small molecule isolated from the plant Gynura segetum. This compound is of research interest for its potential biological activities and is utilized in various in vitro studies within natural product and phytochemical research fields.
CAS Number
151636-98-5
Smiles
O=C1[C@]2 ([C@] ([C@@H] (OC2) C3=CC (OC) =C (O) C (OC) =C3) (CO1) [H]) [H]
Molecular Formula
C14H16O6
Molecular Weight
280.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

rel-(3aR,4S,6aR)-Tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo(3,4-c)furan-1-one

(3R,3aS,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one has been reported in Callicarpa pilosissima, Peperomia heyneana, and other organisms with data available.

CAS Number151636-98-5
PubChem CID162969347
IUPAC Name(3R,3aS,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one
Molecular FormulaC14H16O6
Molecular Weight280.27
XLogP0.9
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity359
SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3COC(=O)[C@@H]3CO2
InChI
InChI=1S/C14H16O6/c1-17-10-3-7(4-11(18-2)12(10)15)13-8-5-20-14(16)9(8)6-19-13/h3-4,8-9,13,15H,5-6H2,1-2H3/t8-,9-,13+/m1/s1
InChIKey
AUXYOVQIZNPKSO-KKFJDGPESA-N
Chemical Structure
2D Structure
2D structure of rel-(3aR,4S,6aR)-Tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo(3,4-c)furan-1-one
CAS: 151636-98-5
CID: 162969347
Formula: C14H16O6
MW: 280.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.27
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass280.09468823
Monoisotopic Mass280.09468823
Topological Polar Surface Area74.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity359
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
T80732-01Zhebeiresinol

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