Spektraris NMR
13-Hydroxy-7-O-(60-O-sulfate-β-D-glucopyranosyl)-desoxyhemigossypol
Common Name: 13-Hydroxy-7-O-(60-O-sulfate-β-D-glucopyranosyl)-desoxyhemigossypol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O12S/c1-8-3-10-14(9(2)5-22)17(24)20(11-6-30-12(4-8)15(10)11)33-21-19(26)18(25)16(23)13(32-21)7-31-34(27,28)29/h3-4,9,13,16,18-19,21-26H,5-7H2,1-2H3,(H,27,28,29)/t9?,13-,16-,18+,19-,21+/m1/s1
InChIKey: InChIKey=ABWBTCIXNWMTSG-BFTMEJOLSA-N
Formula: C21H26O12S1
Molecular Weight: 502.490857
Exact Mass: 502.114497
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) | 123.21 |
| 2 (C) | 163.29 |
| 3 (CH) | 101.2 |
| 4 (C) | 139.96 |
| 5 (CH) | 112.44 |
| 6 (C) | 121.83 |
| 7 (C) | 138.12 |
| 8 (C) | 138.13 |
| 9 (C) | 150.1 |
| 10 (C) | 126.09 |
| 11 (CH) | 36.87 |
| 12 (CH2) | 66.47 |
| 13 (CH3) | 15.77 |
| 14 (CH3) | 23.15 |
| 15 (CH2) | 77.19 |
| 1' (CH) | 105.9 |
| 2' (CH) | 74.8 |
| 3' (CH) | 77.32 |
| 4' (CH) | 71.13 |
| 5' (CH) | 76.61 |
| 6' (CH2) | 68.18 |
