chempirical

Chrysoobtusin

C19H18O7CAS 70588-06-6358.35 g/mol

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EtherKetonePhenol

Properties

Molecular formula
C19H18O7
Molar mass
358.35 g/mol
Exact mass
358.1053 Da
Melting point
214–215 °C
logP
2.51Crippen estimate
Polar surface area
91.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4

Identifiers

CAS number
70588-06-6
SMILES
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIKey
ZMDXTRSTKHTSCE-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O7/c1-8-6-9-12(18(25-4)14(8)20)16(22)13-10(15(9)21)7-11(23-2)17(24-3)19(13)26-5/h6-7,20H,1-5H3

Weigh it out

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

Names and synonyms

4 names
  • 9,10-Anthracenedione, 2-hydroxy-1,6,7,8-tetramethoxy-3-methyl-
  • Anthraquinone, 2-hydroxy-1,6,7,8-tetramethoxy-3-methyl-
  • 2-Hydroxy-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione
  • 2-Hydroxy-1,6,7,8-tetramethoxy-3-methylanthraquinone

Work with Chrysoobtusin

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

Obtusin70588-05-588 % similar Aurantioobtusin67979-25-371 % similar Obtusifolin477-85-067 % similar 3-(β-D-Glucopyranosyloxy)-1,7-dihydroxy-2,8-dimethoxy-6-methyl-9,10-anthracenedione129025-96-355 % similar Rubiadin 1-methyl ether7460-43-744 % similar 2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-843 % similar Parietin521-61-940 % similar 2-Amino-3,4,5-trimethoxybenzoic acid61948-85-440 % similar

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

Same formula

Retusin (flavonol)1245-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook