Spektraris NMR
Labiatamida B
Common Name: Labiatamida B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H43NO6/c1-15(2)20-10-12-26(7,33-18(5)30)24-22-14-16(3)21(28(9)17(4)29)11-13-27(8,34-19(6)31)25(32-22)23(20)24/h15,20-25H,3,10-14H2,1-2,4-9H3/t20-,21+,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey: InChIKey=LVNWDLBICFYRRZ-XTZJLTRESA-N
Formula: C27H43N1O6
Molecular Weight: 477.634494
Exact Mass: 477.309038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roussis, V., Fenical, W., Vagias, C., Kornprobst, J., Miralles, J. Tetrahedron (1996) 52, 2735-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 41.7 |
| 2 (CH) | 91.1 |
| 3 (C) | 84.7 |
| 4 (CH2) | 30.2 |
| 5 (CH2) | 30.2 |
| 6 (CH) | 71.4 |
| 7 (C) | 143.9 |
| 8 (CH2) | 43.1 |
| 9 (CH) | 79.4 |
| 10 (CH) | 43.8 |
| 11 (C) | 82.1 |
| 12 (CH2) | 32.1 |
| 13 (CH2) | 18.4 |
| 14 (CH) | 43.8 |
| 15 (CH3) | 22.1 |
| 16 (CH2) | 119.6 |
| 17 (CH3) | 22.4 |
| 18 (CH) | 27.7 |
| 19 (CH3) | 15.4 |
| 20 (CH3) | 21.9 |
| 3a (C) | 169.4 |
| 3b (CH3) | 25.5 |
| 6a (CH3) | 46.5 |
| 6b (C) | 169.1 |
| 6c (CH3) | 22.4 |
| 11a (C) | 169 |
| 11b (CH3) | 19.3 |
