Spektraris NMR
(2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),(12E)-diene
Common Name: (2S*,3S*,4R*,5R*,9S*,11S*,15R*)-5,15-Diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),(12E)-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H37NO7/c1-16-10-11-22-23(29(22,6)7)13-17(2)27(34)30(38-20(5)33)14-18(3)26(24(30)25(16)36-19(4)32)37-28(35)21-9-8-12-31-15-21/h8-9,12-13,15,18,22-26H,1,10-11,14H2,2-7H3/b17-13+/t18-,22-,23+,24-,25-,26-,30+/m0/s1
InChIKey: InChIKey=PJHBZROILRCFRB-RBZGWYANSA-N
Formula: C30H37N1O7
Molecular Weight: 523.618462
Exact Mass: 523.257003
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tron, G.C., Cravotto, G., Palmisano, G., Jakupovic, J. J Nat Prod (1999) 62, 76-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 48.6 |
| 2 (CH) | 37.7 |
| 3 (CH) | 81.6 |
| 4 (CH) | 52.2 |
| 5 (CH) | 65.5 |
| 6 (C) | 144.3 |
| 7 (CH2) | 34.9 |
| 8 (CH2) | 21 |
| 9 (CH) | 35.4 |
| 10 (C) | 25.3 |
| 11 (CH) | 28.5 |
| 12 (CH) | 146.6 |
| 13 (C) | 134.2 |
| 14 (C) | 196.5 |
| 15 (C) | 92.4 |
| 16 (CH3) | 14.2 |
| 17 (CH2) | 115.5 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 12.4 |
| 3a (C) | 164.8 |
| 3b (C) | 126 |
| 3c (CH) | 151 |
| 3d (CH) | 153.4 |
| 3e (CH) | 137.1 |
| 3f (CH) | 123.3 |
| 5a (C) | 170.1 |
| 5b (CH3) | 21 |
| 15a (C) | 169.6 |
| 15b (CH3) | 22 |
