Spektraris NMR
8-Acetylharpagide
Common Name: 8-Acetylharpagide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O11/c1-7(19)28-16(2)5-9(20)17(24)3-4-25-15(13(16)17)27-14-12(23)11(22)10(21)8(6-18)26-14/h3-4,8-15,18,20-24H,5-6H2,1-2H3/t8-,9-,10-,11+,12-,13-,14+,15+,16+,17-/m1/s1
InChIKey: InChIKey=CAFTUQNGDROXEZ-XBDCZORHSA-N
Formula: C17H26O11
Molecular Weight: 406.382424
Exact Mass: 406.147512
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7
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) | 95.3 |
| 3 (CH) | 145.5 |
| 4 (CH) | 107.7 |
| 5 (C) | 75 |
| 6 (CH) | 79.8 |
| 7 (CH2) | 47.4 |
| 8 (C) | 89.8 |
| 9 (CH) | 56 |
| 10 (CH3) | 23.9 |
| 1' (CH) | 100.1 |
| 2' (CH) | 75.4 |
| 3' (CH) | 76.5 |
| 4' (CH) | 74.4 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 63 |
| 8a (C) | 170 |
| 8b (CH3) | 25.4 |
