Spektraris NMR
Ditaxin
Common Name: Ditaxin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(32)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(35-31)22-30(31,7)33/h9-20,27,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t27-,30-,31-/m0/s1
InChIKey: InChIKey=LTYWXDKNOZKXJR-WVZBASIFSA-N
Formula: C31H42O4
Molecular Weight: 478.663944
Exact Mass: 478.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mendez-Robles, M.D., Permady, H.H., Jaramillo-Flores, M.E., Lugo-Cervantes, E.C., Cardador-Martinez, A., Canales-Aguirre, A.A., Lopez-Dellamary, F., Cerda-Garcia-Rojas, C.M., Tamariz, J. J Nat Prod (2006) 69, 1140-4
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Apocarotenoids; 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) | 41.5 |
| 2 (CH2) | 48.5 |
| 3 (CH) | 74.4 |
| 4 (CH2) | 49.1 |
| 5 (C) | 80.1 |
| 6 (C) | 95.8 |
| 7 (CH) | 121.1 |
| 8 (CH) | 136.6 |
| 9 (C) | 134.9 |
| 10 (CH) | 132 |
| 11 (CH) | 129.4 |
| 12 (CH) | 137.6 |
| 13 (C) | 137.7 |
| 14 (CH) | 131.8 |
| 15 (CH) | 125.4 |
| 16 (CH3) | 26.3 |
| 17 (CH3) | 31.9 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 12.9 |
| 20 (CH3) | 12.7 |
| 1' (CH) | 131.9 |
| 2' (CH) | 135.7 |
| 3' (C) | 135.4 |
| 4' (CH) | 143.9 |
| 5' (CH) | 123.1 |
| 6' (CH) | 139 |
| 7' (C) | 125.8 |
| 8' (C) | 168.8 |
| 9' (CH3) | 12.7 |
| 10' (CH3) | 12.9 |
| 8'a (CH3) | 51.8 |
