Spektraris NMR
Epoxygaertneroside
Common Name: Epoxygaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O14/c1-35-22(33)12-8-36-24(39-25-19(32)18(31)17(30)13(7-27)37-25)15-14(12)20-21(38-20)26(15)6-11(23(34)40-26)16(29)9-2-4-10(28)5-3-9/h2-6,8,13-21,24-25,27-32H,7H2,1H3/t13-,14-,15-,16?,17-,18+,19-,20+,21+,24+,25+,26-/m1/s1
InChIKey: InChIKey=JFWOLYYFIRMHLG-MDLGRUGTSA-N
Formula: C26H28O14
Molecular Weight: 564.493143
Exact Mass: 564.147906
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Cimanga, K., Hermans, N., Apers, S., Van Miert, S., Van den Heuvel, H., Claeys, M., Pieters, L., Vlietinck, A. J Nat Prod (2003) 66, 97-102
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) | 92.49 |
| 3 (CH) | 153.88 |
| 4 (C) | 108.03 |
| 5 (CH) | 32.85 |
| 6 (CH) | 58.92 |
| 7 (CH) | 57.89 |
| 8 (C) | 92.7 |
| 9 (CH) | 43.91 |
| 10 (CH) | 146.89 |
| 11 (C) | 167.97 |
| 12 (C) | 140.72 |
| 13 (CH) | 69.97 |
| 14 (C) | 171.58 |
| 1' (CH) | 99.63 |
| 2' (CH) | 74.34 |
| 3' (CH) | 77.84 |
| 4' (CH) | 70.76 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 61.81 |
| 11a (CH3) | 52.03 |
| 13a (C) | 132.97 |
| 13b (CH) | 116.19 |
| 13c (CH) | 129.56 |
| 13d (C) | 158.6 |
| 13e (CH) | 129.56 |
| 13f (CH) | 116.19 |
