chempirical

Syringin

C17H24O9CAS 118-34-3372.37 g/mol

Open in Covalent MOL file
OOHOOOHOHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C17H24O9
Molar mass
372.37 g/mol
Exact mass
372.1420 Da
Melting point
189–190 °C
logP
-1.11Crippen estimate
Polar surface area
138.1 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
7
Stereocentres
S, R, S, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
118-34-3
SMILES
COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
QJVXKWHHAMZTBY-GCPOEHJPSA-N
InChI
InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl
  • β-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl, (E)-
  • β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxyphenyl
  • 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl β-D-glucopyranoside
  • Ligustrin
  • Lilacin
  • Methoxyconiferine
  • Syringoside
  • Eleutheroside B
  • Magnolenin
  • Ilexanthin A
  • Siringin
  • NSC 287441
  • Sinapyl alcohol 4-O-glucoside
  • Sinapyl alcohol β-glucoside
  • (E)-Sinapyl alcohol 4-glucoside
  • (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy] oxane-3,4,5-triol
  • Syringin B

Work with Syringin

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

Coniferin531-29-377 % similar Eleutheroside E39432-56-961 % similar (-)-Syringaresinol diglucoside66791-77-361 % similar Glucovanillin494-08-658 % similar Acanthoside B7374-79-056 % similar Rhaponticin155-58-853 % similar Methylarbutin6032-32-252 % similar Fraxin524-30-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia