Spektraris NMR
Nor-cassamide
Common Name: Nor-cassamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H37NO5/c1-15-16(13-20(28)25(4)11-12-26)7-8-17-21(15)18(27)14-19-23(17,2)9-6-10-24(19,3)22(29)30-5/h13,15,17,19,21,26H,6-12,14H2,1-5H3/b16-13+/t15-,17-,19+,21-,23+,24-/m0/s1
InChIKey: InChIKey=HXLYBWISMCTBNI-YGFGEUBNSA-N
Formula: C24H37N1O5
Molecular Weight: 419.555237
Exact Mass: 419.267173
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qu, J., Hu, Y.C., Yu, S.S., Chen, X.G., Li, Y. Planta Med (2006) 72, 442-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 39.2 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 37.9 |
| 4 (C) | 43.9 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 40.5 |
| 7 (C) | 210.4 |
| 8 (CH) | 53.5 |
| 9 (CH) | 47 |
| 10 (C) | 36.6 |
| 11 (CH2) | 27 |
| 12 (CH2) | 24.9 |
| 13 (C) | 157.4 |
| 14 (CH) | 38.9 |
| 15 (CH) | 114.4 |
| 16 (C) | 170.3 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 28.2 |
| 19 (C) | 177 |
| 20 (CH3) | 12.1 |
| 16a (CH2) | 51.1 |
| 16b (CH2) | 61.7 |
| 16c (CH3) | 37.3 |
| 19a (CH3) | 51.5 |
