Spektraris NMR
19-acetoxy-4,6-dioxo-18-norneoclerod-13-en-15,16-olide
Common Name: 19-acetoxy-4,6-dioxo-18-norneoclerod-13-en-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-13-9-18(24)21(12-27-14(2)22)16(5-4-6-17(21)23)20(13,3)8-7-15-10-19(25)26-11-15/h10,13,16H,4-9,11-12H2,1-3H3/t13-,16-,20+,21-/m1/s1
InChIKey: InChIKey=PWSJLQQCEFLXHY-DWIRZFKOSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Caballero, C., Castanera, P., Ortego, F., Fontana, G., Pierro, P., Savona, G., Rodriguez, B. Phytochemistry (2001) 58, 249-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 20.4 |
| 2 (CH2) | 25.9 |
| 3 (CH2) | 38.6 |
| 4 (C) | 205.3 |
| 5 (C) | 64.2 |
| 6 (C) | 203.8 |
| 7 (CH2) | 43.6 |
| 8 (CH) | 35.9 |
| 9 (C) | 38.8 |
| 10 (CH) | 51.8 |
| 11 (CH2) | 35.5 |
| 12 (CH2) | 21.8 |
| 13 (C) | 169 |
| 14 (CH) | 115.6 |
| 15 (C) | 173.4 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.9 |
| 19 (CH2) | 62.7 |
| 20 (CH3) | 17.8 |
| 19a (C) | 170.6 |
| 19b (CH3) | 20.7 |
