chempirical

Asarinin

C20H18O6CAS 133-04-0354.36 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
R, R, S, 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
133-04-0
SMILES
C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6
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.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sesamin607-80-7Diastereomer Asarinin133-05-1

Similar compounds

(±)-Fargesin31008-19-279 % similar Sesamolin526-07-873 % similar (+)-Eudesmin29106-36-362 % similar (-)-Eudesmin526-06-762 % similar Sylvatesmin487-39-851 % 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

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

Same formula

Acetyl-trans-resveratrol42206-94-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook