Spektraris NMR
Cussoside D
Common Name: Cussoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O12/c1-18-7-11-30(19(2)5-4-6-22(30)29(18,3)10-8-20(13-33)9-12-32)16-41-27-25(37)24(36)23(35)21(43-27)14-40-28-26(38)31(39,15-34)17-42-28/h5,9,18,21-28,32-39H,4,6-8,10-17H2,1-3H3/b20-9-/t18-,21-,22-,23-,24+,25-,26+,27-,28-,29+,30-,31-/m1/s1
InChIKey: InChIKey=NPAOTDZSUNRTOM-HPNCYPAFSA-N
Formula: C31H52O12
Molecular Weight: 616.738591
Exact Mass: 616.345877
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) | 26.7 |
| 3 (CH) | 122.6 |
| 4 (C) | 142.6 |
| 5 (C) | 42.1 |
| 6 (CH2) | 32.8 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.9 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 37.7 |
| 12 (CH2) | 28.4 |
| 13 (C) | 142.6 |
| 14 (CH) | 127.2 |
| 15 (CH2) | 58.4 |
| 16 (CH2) | 60 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 21.1 |
| 19 (CH2) | 74.9 |
| 20 (CH3) | 18.9 |
| 1' (CH) | 105.4 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 68.8 |
| 1'' (CH) | 111 |
| 2'' (CH) | 77.7 |
| 3'' (C) | 80.4 |
| 4'' (CH2) | 75.1 |
| 5'' (CH2) | 65.7 |
