Spektraris NMR
Dehydromethoxygaertneroside
Common Name: Dehydromethoxygaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17-,18-,20-,21+,22-,25+,26+,27-/m1/s1
InChIKey: InChIKey=RIDIXCFHWOHPTF-SPJPOALZSA-N
Formula: C27H28O14
Molecular Weight: 576.503879
Exact Mass: 576.147906
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) | 94.05 |
| 3 (CH) | 152.48 |
| 4 (C) | 111.09 |
| 5 (CH) | 40.62 |
| 6 (CH) | 142.35 |
| 7 (CH) | 129.12 |
| 8 (C) | 97.79 |
| 9 (CH) | 51.4 |
| 10 (CH) | 159 |
| 11 (C) | 168.32 |
| 12 (C) | 131.62 |
| 13 (C) | 188.11 |
| 14 (C) | 169.96 |
| 1' (CH) | 100.02 |
| 2' (CH) | 74.59 |
| 3' (CH) | 77.75 |
| 4' (CH) | 71.65 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.87 |
| 11a (CH3) | 51.97 |
| 13a (C) | 128.74 |
| 13b (CH) | 112.63 |
| 13c (C) | 149.75 |
| 13d (C) | 155.5 |
| 13e (CH) | 116.91 |
| 13f (CH) | 127.26 |
| 13ca (CH3) | 56.47 |
