Spektraris NMR
Deacetylalpinoside
Common Name: Deacetylalpinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h5,7,9,11-13,15-21H,1-4H2,(H,22,23)/t7-,9-,11-,12+,13-,15+,16+/m1/s1
InChIKey: InChIKey=UJHKVBUVGHLNMO-QWLNJVRVSA-N
Formula: C16H22O10
Molecular Weight: 374.34052
Exact Mass: 374.121297
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calis, I., Kirmizibekmez, H., Sticher, O. J Nat Prod (2001) 64, 60-4
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) | 92 |
| 3 (CH) | 149.3 |
| 4 (C) | 117.5 |
| 5 (CH) | 39.7 |
| 6 (CH2) | 32.2 |
| 7 (CH2) | 34.8 |
| 8 (C) | 132.4 |
| 9 (C) | 141.7 |
| 10 (CH2) | 59.1 |
| 11 (C) | 173.7 |
| 1' (CH) | 100.1 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.7 |
