Asperuloside

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Systematic / IUPAC Name: [(2aS,4aS,5S,7bS)-5-(β-D-Glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate

ID: Reference8159

Other Names: 1H-2,6-Dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS-(2aα,5α,7bα))-

Formula: C18H22O11

Spectral Data

Asperuloside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2018 9:31:33 AM
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Identificators

InChI InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChI Key IBIPGYWNOBGEMH-DILZHRMZSA-N
Canonical SMILES CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O
CAS
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Other Names 1H-2,6-Dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS-(2aα,5α,7bα))-

In Other Databases

ChEMBL CHEMBL461910
KEGG C09769
PubChem 84298
ChEBI CHEBI:2881
ChemSpider 76046
ChemIDPlus 014259451