Spektraris NMR
36α-Hydroxy-nor-cassamide
Common Name: 36α-Hydroxy-nor-cassamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H37NO6/c1-14-15(13-17(27)25(4)11-12-26)7-8-16-18(14)19(28)20(29)21-23(16,2)9-6-10-24(21,3)22(30)31-5/h13-14,16,18,20-21,26,29H,6-12H2,1-5H3/b15-13+/t14-,16-,18-,20-,21+,23+,24-/m0/s1
InChIKey: InChIKey=HAKMHCYHCYXDLW-VGUYIGQBSA-N
Formula: C24H37N1O6
Molecular Weight: 435.554642
Exact Mass: 435.262088
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) | 39.8 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 39.6 |
| 4 (C) | 45.3 |
| 5 (CH) | 58.5 |
| 6 (CH) | 75.8 |
| 7 (C) | 210.4 |
| 8 (CH) | 51.4 |
| 9 (CH) | 47.1 |
| 10 (C) | 37.3 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 24.6 |
| 13 (C) | 156.6 |
| 14 (CH) | 39 |
| 15 (CH) | 114.7 |
| 16 (C) | 169.9 |
| 17 (CH3) | 15 |
| 18 (CH3) | 31.5 |
| 19 (C) | 177.4 |
| 20 (CH3) | 14 |
| 16a (CH2) | 51.1 |
| 16b (CH2) | 61.6 |
| 16c (CH3) | 37.8 |
| 19a (CH3) | 51.7 |
