Spektraris NMR
Ingenol
Common Name: Ingenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1
InChIKey: InChIKey=VEBVPUXQAPLADL-POYOOMFHSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tron, G.C., Cravotto, G., Palmisano, G., Jakupovic, J. J Nat Prod (1999) 62, 76-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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) | 129.2 |
| 2 (C) | 140.6 |
| 3 (CH) | 80.1 |
| 4 (C) | 84.3 |
| 5 (CH) | 75.1 |
| 6 (C) | 139.1 |
| 7 (CH) | 127.3 |
| 8 (CH) | 44 |
| 9 (C) | 207.7 |
| 10 (C) | 72.6 |
| 11 (CH) | 34.9 |
| 12 (CH2) | 31 |
| 13 (CH) | 23.3 |
| 14 (CH) | 23 |
| 15 (C) | 23.8 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 15.4 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 15.5 |
| 20 (CH2) | 66.7 |
