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Chemical structure of Demethylwedelolactone Sulfate

GC38157

Demethylwedelolactone Sulfate

Also known as (1,8,9-trihydroxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) hydrogen sulfate

Demethylwedelolactone Sulfate (Demethylwedelolactone 3-sulfate) is a coumestan isolated from Eclipta prostrata L

ChemicalCAS1318240-80-0MW380.28FormulaC15H8O10S
CAS number
1318240-80-0
Molecular weight
380.28
Formula
C15H8O10S
Solubility
Soluble in DMSO
InChIKey
PHQCOGFAQDXAHJ-UHFFFAOYSA-N
Catalogue number
GC38157
Brand
GLPBIO
Computed properties PubChem CID 86764070 · XLogP 1.5 · TPSA 172 Ų · H-bond donors 4
XLogP
1.5
TPSA
172 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
2
Heavy atoms
26

SMILES C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)OS(=O)(=O)O

Computed descriptors from PubChem (CID 86764070), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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