Spektraris NMR
15,16-Di-O-acetyl-2,7-dioxofagonene
Common Name: 15,16-Di-O-acetyl-2,7-dioxofagonene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-14-9-17(27)10-20-23(5)8-7-22(4,11-18(23)19(28)12-24(14,20)6)21(30-16(3)26)13-29-15(2)25/h9,18,20-21H,7-8,10-13H2,1-6H3/t18-,20-,21-,22+,23+,24-/m1/s1
InChIKey: InChIKey=VLIDTNMWSLLIII-WABZNMTCSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelkader, M.S., Omar, A.A., Abdelsalam, N.A., Stermitz, F.R. Phytochemistry (1994) 36, 1431-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Erythroxanes; 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) | 34.8 |
| 2 (C) | 197.1 |
| 3 (CH) | 127.9 |
| 4 (C) | 165.7 |
| 5 (C) | 35.5 |
| 6 (CH2) | 50.3 |
| 7 (C) | 209.1 |
| 8 (CH) | 52.6 |
| 9 (C) | 44.7 |
| 10 (CH) | 54.7 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 28 |
| 13 (C) | 43.3 |
| 14 (CH2) | 32.6 |
| 15 (CH) | 78.1 |
| 16 (CH2) | 62.7 |
| 17 (CH3) | 19.3 |
| 18 (CH3) | 21.3 |
| 19 (CH3) | 32.6 |
| 20 (CH3) | 15.5 |
| 15a (C) | 170.4 |
| 15b (CH3) | 20.7 |
| 16a (C) | 170.8 |
| 16b (CH3) | 20.8 |
