Spektraris NMR
Gaertneroside
Common Name: Gaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-21,24-25,27-32H,9H2,1H3/t13-,16-,17-,18?,19-,20+,21-,24+,25+,26-/m1/s1
InChIKey: InChIKey=HGHZVZYRYYMUTI-ZDTRQYSUSA-N
Formula: C26H28O13
Molecular Weight: 548.493738
Exact Mass: 548.152991
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) | 94.5 |
| 3 (CH) | 152.56 |
| 4 (C) | 110.92 |
| 5 (CH) | 40.39 |
| 6 (CH) | 141.63 |
| 7 (CH) | 129.99 |
| 8 (C) | 98.09 |
| 9 (CH) | 50.84 |
| 10 (CH) | 150.15 |
| 11 (C) | 168.48 |
| 12 (C) | 137.92 |
| 13 (CH) | 69.94 |
| 14 (C) | 172.42 |
| 1' (CH) | 100.57 |
| 2' (CH) | 74.51 |
| 3' (CH) | 77.91 |
| 4' (CH) | 70.94 |
| 5' (CH) | 78.41 |
| 6' (CH2) | 62.22 |
| 11a (CH3) | 51.99 |
| 13a (C) | 133.32 |
| 13b (CH) | 116.3 |
| 13c (CH) | 129.67 |
| 13d (C) | 158.57 |
| 13e (CH) | 129.67 |
| 13f (CH) | 116.3 |
