Spektraris NMR
Cedkathryn A
Common Name: Cedkathryn A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O7/c1-21(2)17(22(3)7-5-18(26)31-22)11-24(32-21)10-15-16(30-24)4-8-23-13-25(15,23)20(27)29-19(23)14-6-9-28-12-14/h5-7,9,12,15-17,19H,4,8,10-11,13H2,1-3H3/t15-,16-,17+,19+,22+,23-,24-,25-/m1/s1
InChIKey: InChIKey=ZLKNSNBMQLJCPU-AROYWQBSSA-N
Formula: C25H28O7
Molecular Weight: 440.486573
Exact Mass: 440.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mulholland, D.A., McFarland, K., Randrianarivelojosia, M., Rabarison, H. Phytochemistry (2004) 65, 2929-34
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 161 |
| 2 (CH) | 119.9 |
| 3 (C) | 172.5 |
| 4 (C) | 82.8 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 38.9 |
| 7 (C) | 111.6 |
| 8 (CH) | 32.8 |
| 9 (CH) | 75.6 |
| 10 (C) | 87.4 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 21.7 |
| 13 (C) | 33.1 |
| 14 (C) | 30.4 |
| 15 (C) | 177.7 |
| 17 (CH) | 78.5 |
| 18 (CH2) | 17.8 |
| 19 (CH3) | 23.8 |
| 20 (C) | 121.5 |
| 21 (CH) | 139.8 |
| 22 (CH) | 108.5 |
| 23 (CH) | 143.8 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 25.2 |
| 30 (CH2) | 40.8 |
