chempirical

(-)-Eudesmin

C22H26O6CAS 526-06-7386.44 g/mol

Open in Covalent MOL file
OOOOOO
Ether

Properties

Molecular formula
C22H26O6
Molar mass
386.44 g/mol
Exact mass
386.1729 Da
Melting point
107 °C
logP
3.80Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6
Stereocentres
R, S, S, Rin SMILES atom order

Identifiers

CAS number
526-06-7
SMILES
COc1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OC)c(OC)c2)cc1OC
InChIKey
PEUUVVGQIVMSAW-DJDZNOHASA-N
InChI
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • 1H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, (1R,3aS,4R,6aS)-
  • 1H,3H-Furo[3,4-c]furan, 1α,4α-bis(3,4-dimethoxyphenyl)-3aα,4,6,6aα-tetrahydro-, (-)-
  • 1H,3H-Furo[3,4-c]furan, 1,4-bis(3,4-dimethoxyphenyl)tetrahydro-, [1R-(1α,3aα,4α,6aα)]-
  • Eudesamin
  • (1R,3aS,4R,6aS)-1,4-Bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan
  • Eudesmin
  • NSC 35476

Work with (-)-Eudesmin

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

(±)-Fargesin31008-19-282 % similar (+)-Yangambin13060-14-567 % similar Asarinin133-05-162 % similar Sesamin607-80-762 % similar Phillyrin487-41-258 % similar Sesamolin526-07-848 % similar 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile20850-49-144 % similar Eleutheroside E39432-56-943 % similar

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

Same formula

(+)-Eudesmin29106-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook