Asperulosidic acid

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Systematic / IUPAC Name: (1S,4aS,5S,7aS)-7-(Acetoxymethyl)-1-(β-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

ID: Reference7480

Other Names: Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-

Formula: C18H24O12

Spectral Data

Asperulosidic acid 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
No. of Spectral Trees 2
No. of Spectra 1682
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/2/2018 1:13:45 PM
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Identificators

InChI InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChI Key DGDWCRWJRNMRKX-DILZHRMZSA-N
Canonical SMILES CC(=O)OCC1=CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
CAS 25368110
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Other Names Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, (1S,4aS,5S,7aS)-

In Other Databases

PubChem 11968867
ChemSpider 10142642