Spektraris NMR
4-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside
![4-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside](/nmr/static/nmr/svg/18266.svg)
Common Name: 4-[(2S)-5,7-Dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O15/c1-28(38,9-21(32)33)10-22(34)40-11-20-24(35)25(36)26(37)27(43-20)42-16-4-3-12(5-18(16)39-2)17-8-15(31)23-14(30)6-13(29)7-19(23)41-17/h3-7,17,20,24-27,29-30,35-38H,8-11H2,1-2H3,(H,32,33)/t17-,20-,24-,25+,26-,27-,28?/m0/s1
InChIKey: InChIKey=UPNCUHXSXDKPOM-IUBYZPCXSA-N
Formula: C28H32O15
Molecular Weight: 608.545783
Exact Mass: 608.17412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nakagawa, H., Takaishi, Y., Tanaka, N., Tsuchiya, K., Shibata, H., Higuti, T. J Nat Prod (2006) 69, 1177-9
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 80.3 |
| 3 (CH2) | 44.1 |
| 4 (C) | 197.5 |
| 5 (C) | 164.6 |
| 6 (CH) | 96.3 |
| 7 (C) | 165.4 |
| 8 (CH) | 97.2 |
| 9 (C) | 168.3 |
| 10 (C) | 103.4 |
| 1' (C) | 135.3 |
| 2' (CH) | 112.1 |
| 3' (C) | 151.1 |
| 4' (C) | 147.9 |
| 5' (CH) | 118.2 |
| 6' (CH) | 120.2 |
| 7' (CH3) | 56.8 |
| 1'' (CH) | 102.5 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 75.4 |
| 6'' (CH2) | 64.6 |
| 1''' (C) | 172.4 |
| 2''' (CH2) | 46.3 |
| 3''' (C) | 70.7 |
| 4''' (CH2) | 45.8 |
| 5''' (C) | 174.9 |
| 6''' (CH3) | 27.7 |
