chempirical

(-)-Licarin-B

C20H20O4CAS 51020-87-2324.38 g/mol

Open in Covalent MOL file
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AcetalAlkeneEther

Properties

Molecular formula
C20H20O4
Molar mass
324.38 g/mol
Exact mass
324.1362 Da
logP
4.69Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES 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
51020-87-2
SMILES
C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc3c(c1)OCO3)O2
InChIKey
DMMQXURQRMNSBM-YZAYTREXSA-N
InChI
InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzodioxole, 5-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-
  • 1,3-Benzodioxole, 5-[(2R,3R)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-
  • 5-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-1,3-benzodioxole
  • Licarin B
  • NSC 370990

Work with (-)-Licarin-B

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-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol2680-81-172 % similar Isosafrole120-58-147 % similar (±)-Fargesin31008-19-245 % similar 4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-543 % similar Methyl isoeugenol93-16-339 % similar Benzyl isoeugenol120-11-639 % similar Myristicinaldehyde5780-07-438 % similar Asarinin133-04-037 % similar

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

Same formula

Bavachin19879-32-4 Isobavachalcone20784-50-3 Isobavachin31524-62-6 Glabridin59870-68-7

Elsewhere

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