chempirical

2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-B:3,4-B′]dipyran-4-one

C25H26O7CAS 62949-93-3438.48 g/mol

Open in Covalent MOL file
OHOHHOOHOOO
AlcoholAlkeneEtherPhenol

Properties

Molecular formula
C25H26O7
Molar mass
438.48 g/mol
Exact mass
438.1679 Da
Melting point
213–214 °C
logP
4.46Crippen estimate
Polar surface area
120.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4

Identifiers

CAS number
62949-93-3
SMILES
CC(C)(O)CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3
InChIKey
AFOKZNPZDXHDHD-UHFFFAOYSA-N
InChI
InChI=1S/C25H26O7/c1-24(2,30)9-7-16-21(29)20-18(28)12-19-15(8-10-25(3,4)32-19)23(20)31-22(16)14-6-5-13(26)11-17(14)27/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4H,8H-Benzo[1,2-b:3,4-b′]dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-
  • Morusinol
  • Oxydihydromorusin
  • 2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one

Work with 2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo[1,2-B:3,4-B′]dipyran-4-one

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

Morusin62596-29-672 % similar Icariside I hydrate128988-55-639 % similar 3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-7-hydroxy-4H-1-benzopyran-4-one53947-92-538 % similar β-Anhydroicaritin38226-86-738 % similar Glabridin59870-68-736 % similar Morin480-16-034 % similar Herbacetin527-95-731 % similar Rhodionin85571-15-930 % similar

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

Elsewhere

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