Spektraris NMR
Methoxygaertneroside
Common Name: Methoxygaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O14/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/h3-8,10,12,17-22,25-26,28-33H,9H2,1-2H3/t12-,17-,18-,19?,20-,21+,22-,25+,26+,27-/m1/s1
InChIKey: InChIKey=SERITHPGXJNZPQ-AJQFOLIBSA-N
Formula: C27H30O14
Molecular Weight: 578.519761
Exact Mass: 578.163556
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) | 93.79 |
| 3 (CH) | 152.09 |
| 4 (C) | 111.43 |
| 5 (CH) | 39.67 |
| 6 (CH) | 140.86 |
| 7 (CH) | 130.24 |
| 8 (C) | 97.91 |
| 9 (CH) | 50.81 |
| 10 (CH) | 149.78 |
| 11 (C) | 168.38 |
| 12 (C) | 138.21 |
| 13 (CH) | 70 |
| 14 (C) | 172.38 |
| 1' (CH) | 100.08 |
| 2' (CH) | 74.41 |
| 3' (CH) | 77.86 |
| 4' (CH) | 70.83 |
| 5' (CH) | 78.26 |
| 6' (CH2) | 62.05 |
| 11a (CH3) | 51.94 |
| 13a (C) | 133.93 |
| 13b (CH) | 111.65 |
| 13c (C) | 149.06 |
| 13d (C) | 147.63 |
| 13e (CH) | 116.07 |
| 13f (CH) | 121.17 |
| 13ca (CH3) | 56.52 |
