Spektraris NMR
Cussoracoside E
Common Name: Cussoracoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-12-9-26-7-4-16-24(2,17(26)8-14(28)13(12)10-26)6-5-18(29)25(16,3)23(33)35-22-21(32)20(31)19(30)15(11-27)34-22/h13-22,27-32H,1,4-11H2,2-3H3/t13-,14-,15-,16+,17+,18-,19-,20+,21-,22+,24-,25+,26-/m1/s1
InChIKey: InChIKey=ZEQWNCCUXZWGMJ-OBENPHAASA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Kasai, R., Yamasaki, K. Chem Pharm Bull (2002) 50, 268-71
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.8 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 49.8 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 40.4 |
| 8 (C) | 43.7 |
| 9 (CH) | 56.6 |
| 10 (C) | 39.1 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 71 |
| 13 (CH) | 51.8 |
| 14 (CH2) | 39.5 |
| 15 (CH2) | 49.1 |
| 16 (C) | 150.8 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 24.2 |
| 19 (C) | 176.3 |
| 20 (CH3) | 16 |
| 1' (CH) | 95.9 |
| 2' (CH) | 73.9 |
| 3' (CH) | 79.5 |
| 4' (CH) | 70.8 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 61.8 |
