Spektraris NMR
Cussoside A
Common Name: Cussoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H44O8/c1-16-7-11-26(15-33-24-23(32)22(31)21(30)19(14-29)34-24)17(2)5-4-6-20(26)25(16,3)10-8-18(13-28)9-12-27/h5,9,16,19-24,27-32H,4,6-8,10-15H2,1-3H3/b18-9-/t16-,19-,20-,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=NRZBODCTCGUFOH-MZOXXHMWSA-N
Formula: C26H44O8
Molecular Weight: 484.623766
Exact Mass: 484.303618
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina Liva, R.R., Kasai, R., Yamasaki, K. Phytochemistry (2002) 60, 339-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 18 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 122.4 |
| 4 (C) | 142.9 |
| 5 (C) | 42.2 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.9 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 37.7 |
| 12 (CH2) | 28.5 |
| 13 (C) | 143 |
| 14 (CH) | 127.2 |
| 15 (CH2) | 58.4 |
| 16 (CH2) | 60 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 21.1 |
| 19 (CH2) | 74.4 |
| 20 (CH3) | 18.9 |
| 1' (CH) | 105.9 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.7 |
