Spektraris NMR
Caminatal
Common Name: Caminatal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O5/c1-17-8-9-19(14-21(17)31)20(30)10-11-23-26(5,16-28)15-22(32-18(2)29)24-25(3,4)12-7-13-27(23,24)6/h8-9,14,16,22-24,31H,7,10-13,15H2,1-6H3/t22?,23-,24-,26?,27+/m0/s1
InChIKey: InChIKey=JXMWXFSVMMJDHJ-HGQZWKRSSA-N
Formula: C27H38O5
Molecular Weight: 442.588643
Exact Mass: 442.271924
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Diaz-Marrero, A.R., I.Brito, Dorta, E., Cueto, M., San-Martin, A., Darias, J. Tetrahedron Lett (2003) 44, 5939-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 42 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 44.3 |
| 4 (C) | 34.4 |
| 5 (CH) | 55.8 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 37.4 |
| 8 (C) | 38.9 |
| 9 (CH) | 52.3 |
| 10 (C) | 50.4 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 40.3 |
| 13 (C) | 198.7 |
| 14 (C) | 130.8 |
| 15 (CH) | 114.5 |
| 16 (C) | 155.3 |
| 17 (C) | 136.9 |
| 18 (CH) | 131.8 |
| 19 (CH) | 121.2 |
| 20 (CH3) | 16.4 |
| 21 (CH3) | 17.6 |
| 22 (CH) | 206.5 |
| 23 (CH3) | 33.5 |
| 24 (CH3) | 23.7 |
| 25 (CH3) | 16.4 |
| 6a (C) | 169.7 |
| 6b (CH3) | 22 |
