chempirical

Wedelolactone

C16H10O7CAS 524-12-9314.25 g/mol

Open in Covalent MOL file
OHOOOHOHOO
EtherPhenol

Properties

Molecular formula
C16H10O7
Molar mass
314.25 g/mol
Exact mass
314.0427 Da
Melting point
327–329 °C (decomposes)
logP
2.82Crippen estimate
Polar surface area
113.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
1

Identifiers

CAS number
524-12-9
SMILES
COc1cc(O)c2c(c1)oc(=O)c1c3cc(O)c(O)cc3oc21
InChIKey
XQDCKJKKMFWXGB-UHFFFAOYSA-N
InChI
InChI=1S/C16H10O7/c1-21-6-2-10(19)14-12(3-6)23-16(20)13-7-4-8(17)9(18)5-11(7)22-15(13)14/h2-5,17-19H,1H3

Weigh it out

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Names and synonyms

3 names
  • 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 1,8,9-trihydroxy-3-methoxy-
  • 1,8,9-Trihydroxy-3-methoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
  • 1,8,9-Trihydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one

Work with Wedelolactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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