Spektraris NMR
Caucanolide A
Common Name: Caucanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-12(2)16(11-22)8-7-15-9-17(26-20(15)24)18(13(3)4)21(25-6)10-14(5)19(23)27-21/h9-11,17-18H,3,7-8H2,1-2,4-6H3/t17-,18+,21+/m0/s1
InChIKey: InChIKey=IYTPQKWQKYLEMT-WAOWUJCRSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
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) | 156.8 |
| 2 (CH) | 190.7 |
| 3 (C) | 170.6 |
| 4 (C) | 134.7 |
| 5 (CH) | 145.1 |
| 6 (C) | 108.4 |
| 7 (CH) | 57.3 |
| 8 (CH) | 79.8 |
| 9 (CH) | 148.4 |
| 10 (C) | 133.7 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 23.6 |
| 13 (C) | 135.5 |
| 14 (CH3) | 23.4 |
| 15 (CH3) | 19.4 |
| 16 (CH3) | 10.6 |
| 17 (C) | 138.1 |
| 18 (CH2) | 118.8 |
| 19 (CH3) | 23.9 |
| 20 (C) | 173.3 |
| 21 (CH3) | 51 |
