chempirical

Sesamolin

C20H18O7CAS 526-07-8370.36 g/mol

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AcetalEther

Properties

Molecular formula
C20H18O7
Molar mass
370.36 g/mol
Exact mass
370.1053 Da
Melting point
93.5 °C
logP
2.88Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
3
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
526-07-8
SMILES
c1cc2c(cc1O[C@H]1OC[C@H]3[C@@H]1CO[C@@H]3c1ccc3c(c1)OCO3)OCO2
InChIKey
ZZMNWJVJUKMZJY-AFHBHXEDSA-N
InChI
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 1,3-Benzodioxole, 5-[(1S,3aR,4R,6aR)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-
  • 1H,3H-Furo[3,4-c]furan, tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-, (1R,3aR,4S,6aR)-
  • 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, [1S-(1α,3aα,4α,6aα)]-
  • 1,3-Benzodioxole, 5-[4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-, (1S,3aR,4R,6aR)-
  • 1H,3H-Furo[3,4-c]furan, 1,3-benzodioxole deriv.
  • 5-[(1S,3aR,4R,6aR)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole
  • 2-(3,4-Methylenedioxyphenoxy)-6-(3,4-methylenedioxyphenyl)-cis-3,7-dioxabicyclo[3.3.0]octane
  • Tetrahydro-1-[3,4-(methylenedioxy)phenoxy]-4-[3,4-(methylenedioxy)phenyl]-1H,3H-furo[3,4-c]furan
  • (+)-Sesamolin

Work with Sesamolin

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

Asarinin133-05-173 % similar Sesamin607-80-773 % similar (±)-Fargesin31008-19-261 % similar (+)-Eudesmin29106-36-348 % similar (-)-Eudesmin526-06-748 % similar Phillyrin487-41-237 % similar (+)-Yangambin13060-14-536 % similar 4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-536 % similar

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

Elsewhere

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