Feretoside

C17H24O11CAS 27530-67-2404.37 g/mol

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OOOOOOHOHOHOHOHHO
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C17H24O11
Molar mass
404.37 g/mol
Exact mass
404.1319 Da
logP
-3.26Crippen estimate
Polar surface area
175.4 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
5
Stereocentres
S, S, R, S, S, R, S, R, 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
27530-67-2
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12
InChIKey
WSGPLSDARZNMCW-LPGRTNKPSA-N
InChI
InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • Scandoside, methyl ester
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aS,5R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)-, methyl ester, [1S-(1α,4aα,5α,7aα)]-
  • 6β-Hydroxygeniposide

Work with Feretoside

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.

Deacetyl asperulosidic acid methyl ester52613-28-2Diastereomer

Similar compounds

Geniposide24512-63-872 % similar Genipin gentiobioside29307-60-665 % similar Shanzhiside methyl ester64421-28-959 % similar Verbenalin548-37-858 % similar Loganin18524-94-257 % similar Morroniside25406-64-857 % similar Aucubin479-98-156 % similar Asperuloside14259-45-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gardenoside24512-62-7 Secoxyloganin58822-47-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook