Spektraris NMR
Labiatina A
Common Name: Labiatina A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H41NO7/c1-14(2)18-9-12-25(7,33-16(4)29)22-19(31)13-26(8,34-17(5)30)20-10-11-24(6,27-15(3)28)23(32-20)21(18)22/h14,18,20-23H,9-13H2,1-8H3,(H,27,28)/t18-,20-,21-,22-,23-,24-,25-,26-/m0/s1
InChIKey: InChIKey=LROJHJSODJAMIP-MCKDWDGJSA-N
Formula: C26H41N1O7
Molecular Weight: 479.607282
Exact Mass: 479.288303
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) | 48.5 |
| 2 (CH) | 78.1 |
| 3 (C) | 83.7 |
| 4 (CH2) | 27.5 |
| 5 (CH2) | 19.5 |
| 6 (CH) | 78 |
| 7 (C) | 92.7 |
| 8 (CH2) | 44.2 |
| 9 (C) | 204.6 |
| 10 (CH) | 55.4 |
| 11 (C) | 80.5 |
| 12 (CH2) | 32.1 |
| 13 (CH2) | 19.8 |
| 14 (CH) | 36.5 |
| 15 (CH3) | 23.6 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 24.5 |
| 18 (CH) | 27.2 |
| 19 (CH3) | 14.6 |
| 20 (CH3) | 21.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 22.1 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.9 |
| 11a (C) | 169.1 |
| 11b (CH3) | 21.9 |
