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Hedysarimcoumestan B

CAT: 0804-HY-N9758-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9758-01Size:1 mg
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Description
Hedysarimcoumestan B is a natural product that can be isolated from the roots of Hedysarum multijugum[1].
CAS Number
899436-04-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hedysarimcoumestan-b.html
Solubility
10 mM in DMSO
Smiles
O=C1OC2=CC(O)=CC(O)=C2C3=C1C4=C(O3)C=C(OC)C=C4
Molecular Formula
C16H10O6
Molecular Weight
298.25
References & Citations
[1]Wang W, et al. Coumestans from Hedysarum multijugum. J Nat Prod. 2006 Jun;69 (6) :876-80.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Hedysarimcoumestan B

Hedysarimcoumestan B has been reported in Corethrodendron multijugum and Glycyrrhiza glabra with data available.

CAS Number899436-04-5
PubChem CID11558452
IUPAC Name1,3-dihydroxy-9-methoxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular FormulaC16H10O6
Molecular Weight298.25
XLogP2.7
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity454
SMILES
COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O
InChI
InChI=1S/C16H10O6/c1-20-8-2-3-9-11(6-8)21-15-13(9)16(19)22-12-5-7(17)4-10(18)14(12)15/h2-6,17-18H,1H3
InChIKey
AAKHRTZXSZBLFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hedysarimcoumestan B
CAS: 899436-04-5
CID: 11558452
Formula: C16H10O6
MW: 298.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.25
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass298.04773803
Monoisotopic Mass298.04773803
Topological Polar Surface Area89.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity454
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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CatalogName
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M38175Hedysarimcoumestan B

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