Spektraris NMR
6-O-Acetylscandoside
Common Name: 6-O-Acetylscandoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O12/c1-6(21)28-9-2-7(3-19)11-12(9)8(16(25)26)5-27-17(11)30-18-15(24)14(23)13(22)10(4-20)29-18/h2,5,9-15,17-20,22-24H,3-4H2,1H3,(H,25,26)/t9-,10-,11-,12+,13-,14+,15-,17+,18+/m1/s1
InChIKey: InChIKey=DKSJVXMWGQVIEW-FUIAOSIISA-N
Formula: C18H24O12
Molecular Weight: 432.376683
Exact Mass: 432.126776
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Yamasaki, K. Phytochemistry (2002) 59, 551-6
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) | 97.7 |
| 3 (CH) | 154 |
| 4 (C) | 110.1 |
| 5 (CH) | 42.1 |
| 6 (CH) | 83.6 |
| 7 (CH) | 127 |
| 8 (C) | 150.3 |
| 9 (CH) | 46.8 |
| 10 (CH2) | 60.9 |
| 11 (C) | 170.1 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.6 |
| 6a (C) | 172.8 |
| 6b (CH3) | 21.2 |
