(-)-BERGENIN
Compound with spectra: 3 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 1TReuKFFcUD |
|---|---|
| InChI | InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1 |
| InChIKey | YWJXCIXBAKGUKZ-HJJNZUOJSA-N |
| Mol Weight | 328.27 g/mol |
| Molecular Formula | C14H16O9 |
| Exact Mass | 328.079432 g/mol |
| Enantiomer InChIKey | YWJXCIXBAKGUKZ-SIOUWEMCSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | CD-382-0-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
- BERGENIN
- (2R,3S,4S,4aR,10bS)-2-(hydroxymethyl)-9-methoxy-3,4,8,10-tetrakis(oxidanyl)-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Bergenin monohydrate
11-O-(4'-O-METHYLGALLOYL)-BERGENIN
11-O-COUMAROYLBERGENIN
11-O-(E)-PARA-COUMAROYLBERGENIN
11-O-GALLOYLBERGENIN
NORBERGENIN
(-)-2-..beta.-D-Glucopyranosyl-gallic acid-delta-lactone
11-O-GALLOYLNORBERGENIN
(2R,3S,4S,4aR,10bS)-3,4,4a,10b-Tetrahydro-3,4,8-trihydroxy-2-hydromethyl-7.9-dimethoxypyrano[3,2-c][2]benzopyran-6(2H)-one
| Title | Journal or Book | Year |
|---|---|---|
| Chemical Constituents of Caesalpinia decapetala (Roth) Alston | Molecules | 2013 |
| Characterization of bergenin in Endopleura uchi bark and its anti-inflammatory activity | Journal of the Brazilian Chemical Society | 2009 |
KnowItAll NMR Spectral Library
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KnowItAll Mass Spectral Library
Author: Wiley
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