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Egonol

CAT: 1596-AR-E09442-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09442-02Size:25 Units
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CAS Number
530-22-3
Molecular Formula
C19H18O5
Molecular Weight
326.35
API Name
Egonol

Chemical Information

Egonol

Egonol is a member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis. It has a role as a plant metabolite. It is a primary alcohol, an aromatic ether, a member of benzodioxoles and a member of 1-benzofurans. It derives from a hydride of a 1-benzofuran.

CAS Number530-22-3
PubChem CID485186
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
Molecular FormulaC19H18O5
Molecular Weight326.3
XLogP3.7
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity417
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCO
InChI
InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3
InChIKey
VOLZBKQSLGCZGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Egonol
CAS: 530-22-3
CID: 485186
Formula: C19H18O5
MW: 326.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.3
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass326.11542367
Monoisotopic Mass326.11542367
Topological Polar Surface Area61.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity417
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
sc-490943Homo Egonol β-D-Glucoside
MBS6111879-01Homo Egonol beta-D-Glucoside

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