chempirical

Tetrahydrocurcumin

C21H24O6CAS 36062-04-1372.42 g/mol

Open in Covalent MOL file
OOOOHOHO
EtherKetonePhenol

Properties

Molecular formula
C21H24O6
Molar mass
372.42 g/mol
Exact mass
372.1573 Da
Melting point
96 °C
logP
3.21Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
10

Identifiers

CAS number
36062-04-1
SMILES
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
InChIKey
LBTVHXHERHESKG-UHFFFAOYSA-N
InChI
InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3

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

Names and synonyms

8 names
  • 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
  • 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione
  • HZIV 81-2
  • NSC 687845
  • Tetrahydrodiferuloylmethane
  • 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
  • Sabiwhite
  • AS-KTC 004

Work with Tetrahydrocurcumin

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

Paradol27113-22-075 % similar Dihydroferulic acid1135-23-571 % similar Zingerone122-48-571 % similar Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-864 % similar [8]-Gingerol23513-08-863 % similar [10]-Gingerol23513-15-763 % similar Gingerol23513-14-662 % similar Homovanillyl alcohol2380-78-160 % similar

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

Same formula

Arctigenin7770-78-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook