Spektraris NMR
Diacetyl Deriuatioe
Common Name: Diacetyl Deriuatioe
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O5/c1-16-9-10-20-22(4,5)12-8-13-23(20,6)19(16)11-14-24(7,27)21(29-18(3)26)15-28-17(2)25/h9,19-21,27H,8,10-15H2,1-7H3/t19-,20-,21+,23+,24+/m1/s1
InChIKey: InChIKey=YYZLVIYPTAUWJO-LBQHQWNISA-N
Formula: C24H40O5
Molecular Weight: 408.572316
Exact Mass: 408.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Seguracorrea, R., Ortega, A., Calderon, J.S., Fronczek, F.R. Phytochemistry (1994) 35, 721-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.1 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.2 |
| 4 (C) | 32.9 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 122.5 |
| 8 (C) | 134.8 |
| 9 (CH) | 55.1 |
| 10 (C) | 37 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 41.2 |
| 13 (C) | 73.5 |
| 14 (CH) | 75.6 |
| 15 (CH2) | 62.9 |
| 16 (CH3) | 23.6 |
| 17 (CH3) | 22 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.5 |
| 14a (C) | 170.8 |
| 14b (CH3) | 20.9 |
| 15a (C) | 170.4 |
| 15b (CH3) | 20.8 |
