Spektraris NMR
Paederotoside
Common Name: Paederotoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O15/c29-16-10-40-27(22(33)19(16)30)41-11-17-20(31)21(32)23(34)28(42-17)43-26-18-13(6-7-14(18)15(9-39-26)24(35)36)8-38-25(37)12-4-2-1-3-5-12/h1-5,9,14,16-17,19-23,26-34H,6-8,10-11H2,(H,35,36)/t14-,16+,17-,19+,20-,21+,22-,23-,26+,27+,28+/m1/s1
InChIKey: InChIKey=ACYSRUVVWAZOEU-RWNJOILESA-N
Formula: C28H34O15
Molecular Weight: 610.561665
Exact Mass: 610.18977
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Albach, D.C., Gotfredsen, C.H., Jensen, S.R. Phytochemistry (2004) 65, 2129-34
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 91.6 |
| 3 (CH) | 149.4 |
| 4 (C) | 115.6 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 32.2 |
| 7 (CH2) | 35.2 |
| 8 (C) | 136.8 |
| 9 (C) | 135.8 |
| 10 (CH2) | 61.6 |
| 11 (C) | 167.9 |
| 1' (CH) | 100.1 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.7 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 69.5 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 74.1 |
| 4'' (CH) | 69.9 |
| 5'' (CH2) | 66.7 |
| 1''' (C) | 165.6 |
| 2''' (C) | 131.3 |
| 3''' (CH) | 130.7 |
| 4''' (CH) | 129.7 |
| 5''' (CH) | 134.4 |
| 6''' (CH) | 129.7 |
| 7''' (CH) | 130.7 |
