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Osthol hydrate

CAT: 1410-M31465-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M31465-01Size:1 Each
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Description
Osthol hydrate is a natural product.
CAS Number
69219-24-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
262.3
Molecular Formula
C15H18O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Osthol hydrate

2'-deoxymeranzin hydrate is a member of the class of coumarins carrying methoxy and 3-hydroxy-3-methylbutyl substituents at positions 7 and 8 respectively. It has a role as a plant metabolite. It is a member of coumarins, a tertiary alcohol and an aromatic ether.

CAS Number69219-24-5
PubChem CID10659145
IUPAC Name8-(3-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
Molecular FormulaC15H18O4
Molecular Weight262.30
XLogP2.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
CC(C)(CCC1=C(C=CC2=C1OC(=O)C=C2)OC)O
InChI
InChI=1S/C15H18O4/c1-15(2,17)9-8-11-12(18-3)6-4-10-5-7-13(16)19-14(10)11/h4-7,17H,8-9H2,1-3H3
InChIKey
FYGJNTORCNKCGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Osthol hydrate
CAS: 69219-24-5
CID: 10659145
Formula: C15H18O4
MW: 262.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.30
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass262.12050905
Monoisotopic Mass262.12050905
Topological Polar Surface Area55.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
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

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