Naringenin trimethyl ether

C18H18O5CAS 38302-15-7314.34 g/mol

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EtherKetone

Properties

Molecular formula
C18H18O5
Molar mass
314.34 g/mol
Exact mass
314.1154 Da
logP
3.42Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
38302-15-7
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChIKey
MQFSCAHSIUPLSB-UHFFFAOYSA-N
InChI
InChI=1S/C18H18O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,15H,10H2,1-3H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.20 (d, J = 7.7 Hz, 2H), 6.81 (d, J = 7.7 Hz, 2H), 6.10 (m, J = 1.6 Hz, 1H), 6.10 (m, J = 1.6 Hz, 1H), 5.77 (t, J = 7.0 Hz, 1H), 3.80 (s, 3H), 3.80 (s, 3H), 3.80 (s, 3H), 3.20 (d, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 200.7, 166.4, 161.6, 161.6, 158.9, 133.1, 127.9, 114.1, 100.5, 92.0, 92.0, 81.8, 56.0, 56.0, 56.0, 45.1.
[M + H]+
[M + H]+ Calcd for C18H19O5 315.1227
[M + Na]+
[M + Na]+ Calcd for C18H18NaO5 337.1046
[M − H]−
[M − H]− Calcd for C18H17O5 313.1081
Elemental analysis
Anal. Calcd for C18H18O5: C, 68.78; H, 5.77.

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Work with Naringenin trimethyl ether

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

4',7-Di-O-methylnaringenin29424-96-278 % similar (-)-Pinostrobin480-37-569 % similar Sakuranetin2957-21-367 % similar Isosakuranetin480-43-367 % similar Alpinetin36052-37-666 % similar 6-Methoxyflavanone3034-04-660 % similar Hesperetin520-33-254 % similar Didymin14259-47-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Di-O-benzoyldiethylene glycol120-55-8 2′-Hydroxy-4,4′,6′-trimethoxychalcone3420-72-2

Elsewhere

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