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Osthole

CAT: 0127-BUP16946-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16946-02Size:500 mg
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CAS Number
484-12-8
Synonyms
Osthol, NSC 31868, Ostol
Purity
=98%
Smiles
COC1=C(C\C=C(/C)C)C2=C(C=CC(=O)O2)C=C1

Chemical Information

Osthol

Osthole is a natural product found in Peucedanum ostruthium and Angelica pubescens. It has a role as a metabolite. It is a member of coumarins and a botanical anti-fungal agent.

CAS Number484-12-8
PubChem CID10228
IUPAC Name7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP3.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity366
SMILES
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
InChI
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey
MBRLOUHOWLUMFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Osthol
CAS: 484-12-8
CID: 10228
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
285946-01Osthole

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