Spektraris NMR
13,15-Dihydroxy-7-O-(60-O-sulfate-β-D-glucopyranosyl)-desoxyhemigossypol
Common Name: 13,15-Dihydroxy-7-O-(60-O-sulfate-β-D-glucopyranosyl)-desoxyhemigossypol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O13S/c1-8(4-22)14-10-2-9(5-23)3-12-15(10)11(6-31-12)20(17(14)25)34-21-19(27)18(26)16(24)13(33-21)7-32-35(28,29)30/h2-3,8,13,16,18-19,21-27H,4-7H2,1H3,(H,28,29,30)/t8?,13-,16-,18+,19-,21+/m1/s1
InChIKey: InChIKey=BMETXGWITKQDJY-SIHBDDFISA-N
Formula: C21H26O13S1
Molecular Weight: 518.490262
Exact Mass: 518.109412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Piccinelli, A.L., Lotti, C., Severino, L., Luongo, D., Rastrelli, L. Tetrahedron (2008) 64, 5449-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadalenes; 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 |
|---|---|
| 1 (C) | 124.39 |
| 2 (C) | 163.3 |
| 3 (CH) | 98.7 |
| 4 (C) | 143.6 |
| 5 (CH) | 111.3 |
| 6 (C) | 122.64 |
| 7 (C) | 130.1 |
| 8 (C) | 138.74 |
| 9 (C) | 150.11 |
| 10 (C) | 125.9 |
| 11 (CH) | 36.92 |
| 12 (CH2) | 66.46 |
| 13 (CH3) | 15.78 |
| 14 (CH2) | 66.49 |
| 15 (CH2) | 77.28 |
| 1' (CH) | 105.85 |
| 2' (CH) | 74.8 |
| 3' (CH) | 77.32 |
| 4' (CH) | 71.13 |
| 5' (CH) | 76.61 |
| 6' (CH2) | 68.12 |
