(5ξ,6α,7α,9ξ,16ξ)-16-(β-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid

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Systematic / IUPAC Name: (5ξ,6α,7α,9ξ,16ξ)-16-(β-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid

ID: Reference8146

Other Names:

Formula: C26H42O11

Spectral Data

(5ξ,6α,7α,9ξ,16ξ)-16-(β-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 380
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/17/2018 8:01:51 AM
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Identificators

InChI InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)/t12?,13-,14?,15-,16+,17-,18-,19?,20-,21+,23-,24+,25?,26?/m1/s1
InChI Key QUCGBWQRLWOVBR-BBJJSLPGSA-N
Canonical SMILES CC12CCCC(C1C(C(C34C2CCC(C3)C(C4)(CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)(C)C(=O)O
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In Other Databases

PubChem 45783047
ChemSpider 29814329