Spektraris NMR
3β-Tigloyl-nor-erythrophlamide
Common Name: 3β-Tigloyl-nor-erythrophlamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H43NO7/c1-8-17(2)26(34)37-23-11-12-28(4)20-10-9-19(15-24(33)30(6)13-14-31)18(3)25(20)21(32)16-22(28)29(23,5)27(35)36-7/h8,15,18,20,22-23,25,31H,9-14,16H2,1-7H3/b17-8+,19-15+/t18-,20-,22+,23-,25-,28+,29+/m0/s1
InChIKey: InChIKey=JEPIEBDHKJYZEP-MBEGZSFPSA-N
Formula: C29H43N1O7
Molecular Weight: 517.655371
Exact Mass: 517.303953
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) | 36.8 |
| 2 (CH2) | 24 |
| 3 (CH) | 78.4 |
| 4 (C) | 48.3 |
| 5 (CH) | 52 |
| 6 (CH2) | 39.9 |
| 7 (C) | 209 |
| 8 (CH) | 53.3 |
| 9 (CH) | 46.8 |
| 10 (C) | 36.2 |
| 11 (CH2) | 27 |
| 12 (CH2) | 24.7 |
| 13 (C) | 156.7 |
| 14 (CH) | 38.8 |
| 15 (CH) | 114.7 |
| 16 (C) | 170 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 23.8 |
| 19 (C) | 173.6 |
| 20 (CH3) | 11.6 |
| 3a (C) | 167.5 |
| 3b (C) | 128.6 |
| 3c (CH) | 137.5 |
| 3d (CH3) | 14.4 |
| 3ba (CH3) | 11.9 |
| 16a (CH2) | 51 |
| 16b (CH2) | 61.6 |
| 16c (CH3) | 37.2 |
| 19a (CH3) | 51.4 |
