Phyllanthin

C24H34O6CAS 10351-88-9418.53 g/mol

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Ether

Properties

Molecular formula
C24H34O6
Molar mass
418.53 g/mol
Exact mass
418.2355 Da
Melting point
167 °C (decomposes)
logP
4.03Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10351-88-9
SMILES
COC[C@@H](Cc1ccc(OC)c(OC)c1)[C@@H](COC)Cc1ccc(OC)c(OC)c1
InChIKey
KFLQGJQSLUYUBF-WOJBJXKFSA-N
InChI
InChI=1S/C24H34O6/c1-25-15-19(11-17-7-9-21(27-3)23(13-17)29-5)20(16-26-2)12-18-8-10-22(28-4)24(14-18)30-6/h7-10,13-14,19-20H,11-12,15-16H2,1-6H3/t19-,20-/m1/s1

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Names and synonyms

5 names
  • Benzene, 1,1′-[(2S,3S)-2,3-bis(methoxymethyl)-1,4-butanediyl]bis[3,4-dimethoxy-
  • Benzene, 1,1′-[2,3-bis(methoxymethyl)-1,4-butanediyl]bis[3,4-dimethoxy-, [S-(R*,R*)]-
  • Butane, 1,4-dimethoxy-2,3-diveratryl-, (2S,3S)-(+)-
  • 1,1′-[(2S,3S)-2,3-Bis(methoxymethyl)-1,4-butanediyl]bis[3,4-dimethoxybenzene]
  • NSC 619043

Work with Phyllanthin

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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