Spektraris NMR
Acetylgaertneroside
Common Name: Acetylgaertneroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O14/c1-12(29)38-11-18-21(32)22(33)23(34)27(40-18)41-26-19-15(17(10-39-26)24(35)37-2)7-8-28(19)9-16(25(36)42-28)20(31)13-3-5-14(30)6-4-13/h3-10,15,18-23,26-27,30-34H,11H2,1-2H3/t15-,18-,19-,20?,21-,22+,23-,26+,27+,28-/m1/s1
InChIKey: InChIKey=BDUPWFOFVQZENO-SGNDTXNRSA-N
Formula: C28H30O14
Molecular Weight: 590.530497
Exact Mass: 590.163556
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) | 94.43 |
| 3 (CH) | 152.51 |
| 4 (C) | 111.1 |
| 5 (CH) | 39.93 |
| 6 (CH) | 141.42 |
| 7 (CH) | 130.09 |
| 8 (C) | 97.95 |
| 9 (CH) | 51.01 |
| 10 (CH) | 150.1 |
| 11 (C) | 168.42 |
| 12 (C) | 138.25 |
| 13 (CH) | 69.77 |
| 14 (C) | 172.47 |
| 1' (CH) | 100.62 |
| 2' (CH) | 74.29 |
| 3' (CH) | 77.69 |
| 4' (CH) | 71.5 |
| 5' (CH) | 75.74 |
| 6' (CH2) | 64.69 |
| 11a (CH3) | 52.02 |
| 13a (C) | 133.41 |
| 13b (CH) | 116.41 |
| 13c (CH) | 129.59 |
| 13d (C) | 158.62 |
| 13e (CH) | 129.59 |
| 13f (CH) | 116.41 |
| 6'a (C) | 172.98 |
| 6'b (CH3) | 20.7 |
