Spektraris NMR
Alpinoside
Common Name: Alpinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1
InChIKey: InChIKey=SBKHBPAOTDHFBN-MXGUJTDSSA-N
Formula: C18H24O11
Molecular Weight: 416.377278
Exact Mass: 416.131862
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) | 91.7 |
| 3 (CH) | 151.4 |
| 4 (C) | 115 |
| 5 (CH) | 39.3 |
| 6 (CH2) | 32.1 |
| 7 (CH2) | 35.1 |
| 8 (C) | 134.6 |
| 9 (C) | 137.4 |
| 10 (CH2) | 60.9 |
| 11 (C) | 171.1 |
| 1' (CH) | 99.9 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 10a (C) | 172.7 |
| 10b (CH3) | 20.7 |
