chempirical

Irisflorentin

C20H18O8CAS 41743-73-1386.36 g/mol

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AcetalEther

Properties

Molecular formula
C20H18O8
Molar mass
386.36 g/mol
Exact mass
386.1002 Da
Melting point
165–167 °C
logP
3.22Crippen estimate
Polar surface area
85.6 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
41743-73-1
SMILES
COc1cc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc(OC)c1OC
InChIKey
RISXUTCDCPHJFQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3

Weigh it out

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Names and synonyms

3 names
  • 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 9-methoxy-7-(3,4,5-trimethoxyphenyl)-
  • 9-Methoxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
  • Irisflorentine

Work with Irisflorentin

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

Similar compounds

Irigenin548-76-555 % similar 1,2,3,7-Tetramethoxyxanthone22804-52-045 % similar Iridin491-74-744 % similar Tectorigenin548-77-643 % similar 5-Hydroxy-4',7-dimethoxyisoflavone34086-51-641 % similar 5-Methyl-7-methoxyisoflavone82517-12-241 % similar Iristectorigenin A 7-glucoside94396-09-540 % similar Biochanin A491-80-539 % similar

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

Same formula

(-)-Di-p-toluoyl-L-tartaric acid217968-14-4 (-)-Di-p-toluoyl-L-tartaric acid32634-66-5 (+)-Di-p-toluoyl-D-tartaric acid32634-68-7

Elsewhere

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