Medicarpin

C16H14O4CAS 32383-76-9270.28 g/mol

Open in Covalent MOL file
OOOHO
EtherPhenol

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
Melting point
128 °C
logP
3.01Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

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
32383-76-9
SMILES
COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21
InChIKey
NSRJSISNDPOJOP-BBRMVZONSA-N
InChI
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.08 (d, J = 7.7 Hz, 1H), 7.05 (d, J = 7.7 Hz, 1H), 6.36 (dd, J = 7.7, 1.6 Hz, 1H), 6.32 (d, J = 1.6 Hz, 1H), 6.29 (dd, J = 7.7, 1.6 Hz, 1H), 6.25 (d, J = 1.6 Hz, 1H), 5.66 (d, J = 7.0 Hz, 1H), 5.30 (br s, 1H), 4.35 (d, J = 7.0 Hz, 2H), 4.10 (q, J = 7.0 Hz, 1H), 3.80 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 159.7, 158.8, 158.3, 155.4, 129.3, 128.4, 126.4, 119.0, 108.0, 106.3, 101.3, 99.6, 90.6, 69.6, 56.0, 50.7.
[M + H]+
[M + H]+ Calcd for C16H15O4 271.0965
[M + Na]+
[M + Na]+ Calcd for C16H14NaO4 293.0784
[M − H]−
[M − H]− Calcd for C16H13O4 269.0819
Elemental analysis
Anal. Calcd for C16H14O4: C, 71.10; H, 5.22.

Weigh it out

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

Names and synonyms

13 names · show all
  • 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR,11aR)-
  • 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-(-)-
  • 6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-
  • (6aR,11aR)-6a,11a-Dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3-ol
  • (-)-3-Hydroxy-9-methoxypterocarpan
  • (-)-Medicarpin
  • (-)-Demethylhomopterocarpin
  • Medicarpin, (-)-
  • l-3-Hydroxy-9-methoxypterocarpan
  • 3-Hydroxy-9-methoxypterocarpan
  • NSC 350085
  • Demethylhomopterocarpin
  • (6AR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

Work with Medicarpin

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

(-)-Maackiain19908-48-664 % similar (-)-Maackiain2035-15-664 % similar Trifolirhizin6807-83-644 % similar 6-Methoxy-2-naphthol5111-66-042 % similar Isomucronulatol52250-35-841 % similar 3,4-Dimethoxyphenol2033-89-839 % similar 4-Methoxyphenol150-76-538 % similar 3-Methoxyphenol150-19-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Dimethoxybenzil1226-42-2 Cardamomin19309-14-9 1-(Phenylmethyl) 2-phenylpropanedioate25774-02-1 3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-2 4,4'-Diacetoxybiphenyl32604-29-8 Echinatin34221-41-5 Alpinetin36052-37-6 (-)-Pinostrobin480-37-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia