Spektraris NMR
6-epi-8-O-Acetylharpagide
Common Name: 6-epi-8-O-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-FPARNOHQSA-N
Formula: C17H26O11
Molecular Weight: 406.382424
Exact Mass: 406.147512
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Hannedouche, S., Stanislas, E., Moulis, C., Fouraste, I. Phytochemistry (2000) 54, 807-9
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) | 95.8 |
| 3 (CH) | 145.3 |
| 4 (CH) | 104 |
| 5 (C) | 74.6 |
| 6 (CH) | 77.8 |
| 7 (CH2) | 46.1 |
| 8 (C) | 86.6 |
| 9 (CH) | 56.7 |
| 11 (CH3) | 23.5 |
| 2' (CH) | 100.1 |
| 3' (CH) | 75.2 |
| 4' (CH) | 78.1 |
| 5' (CH) | 72.3 |
| 6' (CH) | 79 |
| 7' (CH2) | 63.3 |
| 8a (C) | 176.8 |
| 8b (CH3) | 24.3 |
