6-O-Feruloylcatalpol

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Systematic / IUPAC Name: (1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

ID: Reference8110

Other Names: Picroside III;
6-Feruloylcatalpol

Formula: C25H30O13

Spectral Data

6-O-Feruloylcatalpol 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 7/26/2018 7:12:48 AM
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Identificators

InChI InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1
InChI Key RMSKZOXJAHOIER-GGKKSNITSA-N
Canonical SMILES
CAS
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Other Names Picroside III;
6-Feruloylcatalpol

In Other Databases

ChemSpider 22913218
PubChem 24121289
ChEBI CHEBI:69800
ChEMBL CHEMBL2332349