Spektraris NMR
8-O-Acetylmussaenoside
Common Name: 8-O-Acetylmussaenoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O11/c1-8(21)30-19(2)5-4-9-10(16(25)26-3)7-27-17(12(9)19)29-18-15(24)14(23)13(22)11(6-20)28-18/h7,9,11-15,17-18,20,22-24H,4-6H2,1-3H3/t9-,11-,12-,13+,14+,15-,17+,18+,19+/m1/s1
InChIKey: InChIKey=ALGIRKAUXBGVKF-ATMNGHRSSA-N
Formula: C19H28O11
Molecular Weight: 432.419777
Exact Mass: 432.163162
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Chumsri, P., Hiraga, Y., Yamasaki, K. Phytochemistry (2001) 58, 333-6
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) | 95.5 |
| 3 (CH) | 153 |
| 4 (C) | 112.2 |
| 5 (CH) | 32.9 |
| 6 (CH2) | 29.7 |
| 7 (CH2) | 39.6 |
| 8 (C) | 91 |
| 9 (CH) | 51 |
| 10 (CH3) | 21.2 |
| 11 (C) | 169 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.9 |
| 6a (C) | 173 |
| 6b (CH3) | 22.2 |
| 11a (CH3) | 51.7 |
