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Fargesol

CAT: 0804-HY-N13387Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N13387Size:1 Each
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Description
Fargesol is a natural product[1].
CAS Number
128855-64-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fargesol.html
Smiles
OCC1C(C2=CC=C(C(OC)=C2)OC)OCC1C(C3=CC=C(C(OC)=C3)OC)O
Molecular Formula
C22H28O7
Molecular Weight
404.45
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Fargesol

Fargesol has been reported in Magnolia praecocissima, Magnolia biondii, and Magnolia kobus with data available.

CAS Number128855-64-1
PubChem CID102021579
IUPAC Name(S)-(3,4-dimethoxyphenyl)-[(3S,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol
Molecular FormulaC22H28O7
Molecular Weight404.5
XLogP1.9
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity490
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H]([C@@H](CO2)[C@@H](C3=CC(=C(C=C3)OC)OC)O)CO)OC
InChI
InChI=1S/C22H28O7/c1-25-17-7-5-13(9-19(17)27-3)21(24)16-12-29-22(15(16)11-23)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,21-24H,11-12H2,1-4H3/t15-,16+,21+,22+/m0/s1
InChIKey
YHXRGUWLQJECEW-LGFFLQIISA-N
Chemical Structure
2D Structure
2D structure of Fargesol
CAS: 128855-64-1
CID: 102021579
Formula: C22H28O7
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass404.18350323
Monoisotopic Mass404.18350323
Topological Polar Surface Area86.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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