Spektraris NMR
Labiatamida A
Common Name: Labiatamida A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H45NO8/c1-15(2)21-14-24(35-18(5)32)29(9,38-20(7)34)26-23-13-16(3)22(30(10)17(4)31)11-12-28(8,37-19(6)33)27(36-23)25(21)26/h15,21-27H,3,11-14H2,1-2,4-10H3/t21-,22+,23-,24+,25-,26-,27-,28-,29-/m0/s1
InChIKey: InChIKey=UJHCHLJXFNAMGN-MQGOKBHQSA-N
Formula: C29H45N1O8
Molecular Weight: 535.670657
Exact Mass: 535.314517
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) | 40.6 |
| 2 (CH) | 89.8 |
| 3 (C) | 84.8 |
| 4 (CH2) | 29.5 |
| 5 (CH2) | 29.5 |
| 6 (CH) | 70.9 |
| 7 (C) | 141.9 |
| 8 (CH2) | 42.6 |
| 9 (CH) | 78.8 |
| 10 (CH) | 43.8 |
| 11 (C) | 80.8 |
| 12 (CH) | 73.2 |
| 13 (CH2) | 22.6 |
| 14 (CH) | 36.5 |
| 15 (CH3) | 22.2 |
| 16 (CH2) | 120.1 |
| 17 (CH3) | 21.6 |
| 18 (CH) | 26.9 |
| 19 (CH3) | 15 |
| 20 (CH3) | 21.5 |
| 3a (C) | 169.8 |
| 3b (CH3) | 22.6 |
| 6a (CH3) | 43.8 |
| 6b (C) | 169.7 |
| 6c (CH3) | 22.5 |
| 11a (C) | 169.5 |
| 11b (CH3) | 21.2 |
| 12a (C) | 169.4 |
| 12b (CH3) | 19.6 |
