Spektraris NMR
6-Acetylantirrinoside
Common Name: 6-Acetylantirrinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O11/c1-6(19)25-13-12-16(2,28-12)11-15(24-4-3-17(11,13)23)27-14-10(22)9(21)8(20)7(5-18)26-14/h3-4,7-15,18,20-23H,5H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,14+,15+,16-,17+/m1/s1
InChIKey: InChIKey=BRXLHMIHJHNCQI-PDNMSMPNSA-N
Formula: C17H24O11
Molecular Weight: 404.366543
Exact Mass: 404.131862
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Al-Rehaily, A.J., Abdel-Kader, M.S., Ahmad, M.S., Mossa, J.S. Phytochemistry (2006) 67, 429-32
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) | 94.6 |
| 3 (CH) | 143.4 |
| 4 (CH) | 107.5 |
| 5 (C) | 74.7 |
| 6 (CH) | 79.4 |
| 7 (CH) | 64.2 |
| 8 (C) | 64.5 |
| 9 (CH) | 53.3 |
| 10 (CH3) | 17.4 |
| 1' (CH) | 99.8 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 63 |
| 6a (C) | 172 |
| 6b (CH3) | 20.3 |
