chempirical

Malabaricone C

C21H26O5CAS 63335-25-1358.43 g/mol

Open in Covalent MOL file
OOHOHHOOH
KetonePhenol

Properties

Molecular formula
C21H26O5
Molar mass
358.43 g/mol
Exact mass
358.1780 Da
Melting point
122–124 °C
logP
4.67Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
10

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
63335-25-1
SMILES
O=C(CCCCCCCCc1ccc(O)c(O)c1)c1c(O)cccc1O
InChIKey
HCOZRFYGIFMIEX-UHFFFAOYSA-N
InChI
InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2

Weigh it out

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

Names and synonyms

3 names
  • 1-Nonanone, 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)-
  • 1-(2,6-Dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)-1-nonanone
  • NSC 287968

Work with Malabaricone C

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

Malabaricone B63335-24-075 % similar Dihydrocaffeic acid1078-61-149 % similar Phloretin60-82-247 % similar 5-Hydroxy-1-tetralone28315-93-744 % similar Mg1491243583-85-844 % similar 4-Chloro-7-hydroxy-2,3-dihydroinden-1-one81945-10-043 % similar 2'-Hydroxy-3-phenylpropiophenone3516-95-842 % similar Hydroxytyrosol acetate69039-02-742 % similar

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

Same formula

Monascin21516-68-7 Prednisone53-03-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook