Spektraris NMR
Isophioglonin 7-O-B-D-glucopyranoside
Common Name: Isophioglonin 7-O-B-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O12/c23-5-13-17(28)18(29)19(30)22(34-13)32-7-3-11(25)14-12(4-7)33-20-8-1-2-10(24)16(27)21(8)31-6-9(20)15(14)26/h1-4,13,17-19,22-25,27-30H,5-6H2/t13-,17-,18+,19-,22-/m1/s1
InChIKey: InChIKey=RXSHFSRFAWYPKN-RCYOQAAGSA-N
Formula: C22H20O12
Molecular Weight: 476.387864
Exact Mass: 476.095476
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lin, Y.L., Shen, C.C., Huang, Y.J., Chang, Y.Y. J Nat Prod (2005) 68, 381-4
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 (C) | 161.1 |
| 3 (C) | 113.9 |
| 4 (C) | 175.8 |
| 5 (C) | 161.2 |
| 6 (CH) | 98.7 |
| 7 (C) | 161.6 |
| 8 (CH) | 94.2 |
| 9 (C) | 154.9 |
| 10 (C) | 105.8 |
| 1' (C) | 116.8 |
| 2' (C) | 114.5 |
| 3' (C) | 129.8 |
| 4' (C) | 143 |
| 5' (CH) | 113.9 |
| 6' (CH) | 116.3 |
| 1'' (CH) | 100 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 69.6 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 60.6 |
| 3a (CH2) | 63.3 |
