Spektraris NMR
Cussoside E
Common Name: Cussoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O11/c1-18(10-13-32)6-8-20-19(2)7-9-22-29(3,11-5-12-30(20,22)4)16-40-27-25(36)24(35)23(34)21(42-27)14-39-28-26(37)31(38,15-33)17-41-28/h10,20-28,32-38H,2,5-9,11-17H2,1,3-4H3/b18-10+/t20-,21-,22+,23-,24+,25-,26+,27-,28-,29+,30-,31-/m1/s1
InChIKey: InChIKey=JEUZIIIDQSJCQD-CUSNUULXSA-N
Formula: C31H52O11
Molecular Weight: 600.739186
Exact Mass: 600.350963
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 : Labdanes; 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) | 39.1 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 36.3 |
| 4 (C) | 38.5 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 38.8 |
| 8 (C) | 148.6 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.8 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 38.7 |
| 13 (C) | 137.4 |
| 14 (CH) | 125.9 |
| 15 (CH2) | 58.9 |
| 16 (CH3) | 16.4 |
| 17 (CH2) | 106.5 |
| 18 (CH2) | 72.2 |
| 19 (CH3) | 28.1 |
| 20 (CH3) | 15.6 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77 |
| 6' (CH2) | 68.8 |
| 1'' (CH) | 110.9 |
| 2'' (CH) | 77.8 |
| 3'' (C) | 80.4 |
| 4'' (CH2) | 75 |
| 3''a (CH2) | 65.7 |
