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Oxypeucedanin methanolate

CAT: 1410-M38280Size: 1 EachDry Ice: NoHazardous: No
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Description
(+) -Oxypeucedanin methanolate (compound 9) is a natural compound with inhibitory effect on prostaglandin E2 production.
CAS Number
52939-12-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
318.32
Molecular Formula
C17H18O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one

(+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one has been reported in Angelica japonica and Prangos pabularia with data available.

CAS Number52939-12-5
PubChem CID15945061
IUPAC Name4-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC17H18O6
Molecular Weight318.32
XLogP2.1
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity474
SMILES
CC(C)([C@@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC
InChI
InChI=1S/C17H18O6/c1-17(2,20-3)14(18)9-22-16-10-4-5-15(19)23-13(10)8-12-11(16)6-7-21-12/h4-8,14,18H,9H2,1-3H3/t14-/m1/s1
InChIKey
UHENVVIVPZCJOA-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (+)-4-[(R)-2-Hydroxy-3-methoxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one
CAS: 52939-12-5
CID: 15945061
Formula: C17H18O6
MW: 318.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.32
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass318.11033829
Monoisotopic Mass318.11033829
Topological Polar Surface Area78.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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