Spektraris NMR
Caucanolide B
Common Name: Caucanolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32N2O6/c1-14(2)18(21(27)25-13-26(6)7)10-9-17-11-19(31-23(17)29)20(15(3)4)24(30-8)12-16(5)22(28)32-24/h11-13,19-20H,3,9-10H2,1-2,4-8H3/b25-13+/t19-,20+,24+/m0/s1
InChIKey: InChIKey=HNESWBJNRLMABG-FCLRCFQESA-N
Formula: C24H32N2O6
Molecular Weight: 444.521681
Exact Mass: 444.226037
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D., Sanchez, J.A., Ortega-Barria, E., Capson, T.L., Mayer, A.M. J Nat Prod (2005) 68, 1519-26
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (C) | 149 |
| 2 (C) | 172 |
| 3 (C) | 170.6 |
| 4 (C) | 134.8 |
| 5 (CH) | 145.1 |
| 6 (C) | 108.4 |
| 7 (CH) | 57.3 |
| 8 (CH) | 79.9 |
| 9 (CH) | 148.5 |
| 10 (C) | 133.7 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 28 |
| 13 (C) | 125 |
| 14 (CH3) | 22.9 |
| 15 (CH3) | 23.5 |
| 16 (CH3) | 10.6 |
| 17 (C) | 138.2 |
| 18 (CH2) | 118.8 |
| 19 (CH3) | 23.9 |
| 20 (C) | 173.3 |
| 21 (CH3) | 51 |
| 2a (CH) | 162.6 |
| 2aa (CH3) | 36.5 |
| 2ba (CH3) | 31.5 |
