Spektraris NMR
Epoxymethoxygaertneroside
Common Name: Epoxymethoxygaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-36-13-5-9(3-4-12(13)29)17(30)10-6-27(42-24(10)35)16-15(21-22(27)40-21)11(23(34)37-2)8-38-25(16)41-26-20(33)19(32)18(31)14(7-28)39-26/h3-6,8,14-22,25-26,28-33H,7H2,1-2H3/t14-,15-,16-,17?,18-,19+,20-,21+,22+,25+,26+,27-/m1/s1
InChIKey: InChIKey=YCKDJQYUDRMPHQ-IENXEMNPSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
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) | 92.34 |
| 3 (CH) | 153.17 |
| 4 (C) | 108.14 |
| 5 (CH) | 32.85 |
| 6 (CH) | 58.92 |
| 7 (CH) | 57.85 |
| 8 (C) | 92.7 |
| 9 (CH) | 43.92 |
| 10 (CH) | 146.65 |
| 11 (C) | 140.76 |
| 12 (C) | 171.56 |
| 13 (CH) | 70.24 |
| 14 (C) | 167.94 |
| 1' (CH) | 99.46 |
| 2' (CH) | 74.34 |
| 3' (CH) | 77.84 |
| 4' (CH) | 70.66 |
| 5' (CH) | 78.05 |
| 6' (CH2) | 61.73 |
| 13a (C) | 133.55 |
| 13b (CH) | 111.28 |
| 13c (C) | 149.13 |
| 13d (C) | 147.71 |
| 13e (CH) | 115.84 |
| 13f (CH) | 121.42 |
| 13ca (CH3) | 56.44 |
| 14a (CH3) | 52.03 |
