Spektraris NMR
12-Deoxyphorbaldehyde-13-acetate
Common Name: 12-Deoxyphorbaldehyde-13-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,10,12,15-17,26-27H,8-9H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1
InChIKey: InChIKey=RBAKUBXTGCEYKA-HXGSDTCMSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.B., Huang, R., Wang, H.B., Jin, H.Z., Lou, L.G., Qin, G.W. J Nat Prod (2006) 69, 967-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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) | 160.4 |
| 2 (C) | 133.5 |
| 3 (C) | 208.3 |
| 4 (C) | 72.8 |
| 5 (CH2) | 34.4 |
| 6 (C) | 142.9 |
| 7 (CH) | 158.1 |
| 8 (CH) | 41.4 |
| 9 (C) | 77.1 |
| 10 (CH) | 55.8 |
| 11 (CH) | 36.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 63 |
| 14 (CH) | 32 |
| 15 (C) | 22.9 |
| 16 (CH3) | 23.1 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 10.1 |
| 20 (CH) | 193.8 |
| 13a (C) | 173.4 |
| 13b (CH3) | 21.2 |
