chempirical

Asarinin

C20H18O6CAS 133-05-1354.36 g/mol

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AcetalEther

Properties

Molecular formula
C20H18O6
Molar mass
354.36 g/mol
Exact mass
354.1103 Da
logP
3.22Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
133-05-1
SMILES
c1cc2c(cc1[C@H]1OC[C@H]3[C@@H]1CO[C@H]3c1ccc3c(c1)OCO3)OCO2
InChIKey
PEYUIKBAABKQKQ-WZBLMQSHSA-N
InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)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

5 names
  • 1,3-Benzodioxole, 5,5′-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis-, rel-
  • 1H,3H-Furo[3,4-c]furan, 3aβ,4,6,6aβ-tetrahydro-1α,4β-bis[3,4-(methylenedioxy)phenyl]-
  • 1,3-Benzodioxole, 5,5′-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1α,3aα,4β,6aα)-
  • 1H,3H-Furo[3,4-c]furan, 1,3-benzodioxole deriv.
  • Rel-5,5′-[(1R,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[1,3-benzodioxole]

Work with Asarinin

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

(±)-Fargesin31008-19-279 % similar Sesamolin526-07-873 % similar (+)-Eudesmin29106-36-362 % similar (-)-Eudesmin526-06-762 % similar (+)-Yangambin13060-14-546 % similar 3′,4′-Methylenedioxymandelic acid27738-46-144 % similar 4-[(2R,3S,4R,5R)-5-(1,3-Benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl]-2-methoxyphenol78919-28-543 % similar Benzodioxol-5-amine14268-66-741 % similar

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

Same formula

Sesamin607-80-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook