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Isodemethylwedelolactone

CAT: 0931-T5742-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5742-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
350681-33-3
Target
Others
Related Pathways
Others
Purity
0.9996
Bioactivity
Isodemethylwedelolactone (Isodemethylwedelolacton) is a natual product, has Clotting activity.
Smiles
O=C1C2=C(C=3C(O1)=C(O)C=C(O)C3)OC=4C2=CC(O)=C(O)C4
Molecular Formula
C15H8O7
Molecular Weight
300.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isodemethylwedelolactone
CAS Number350681-33-3
PubChem CID5318547
IUPAC Name2,4,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
Molecular FormulaC15H8O7
Molecular Weight300.22
XLogP2.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity469
SMILES
C1=C(C=C(C2=C1C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O)O
InChI
InChI=1S/C15H8O7/c16-5-1-7-13(10(19)2-5)22-15(20)12-6-3-8(17)9(18)4-11(6)21-14(7)12/h1-4,16-19H
InChIKey
OBEHELRBTWMPHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isodemethylwedelolactone
CAS: 350681-33-3
CID: 5318547
Formula: C15H8O7
MW: 300.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.22
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass300.02700259
Monoisotopic Mass300.02700259
Topological Polar Surface Area120 Ų
Heavy Atom Count22
Formal Charge0
Complexity469
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
TB0651-0020Isodemethylwedelolactone
371585Isodemethylwedelolactone discontinued

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