Spektraris NMR
Acetylationofteucrolin E
Common Name: Acetylationofteucrolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-13-17(25)18(26)20(11-29-14(2)23)21(27)12-30-22(20,8-5-16(21)24)19(13,3)7-4-15-6-9-28-10-15/h6,9-10,13,16,18,24,26-27H,4-5,7-8,11-12H2,1-3H3/t13-,16+,18+,19+,20+,21+,22+/m1/s1
InChIKey: InChIKey=LPNKZQQKFLRKNO-LQAKETPCSA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Al-Yahya, M.A., El-Feraly, F.S., Dunbar, D.C., Muhammad, I. Phytochemistry (2002) 59, 409-14
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) | 27.3 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 68.7 |
| 4 (C) | 84.1 |
| 5 (C) | 58.2 |
| 6 (CH) | 75 |
| 7 (C) | 210.9 |
| 8 (CH) | 43.8 |
| 9 (C) | 48.3 |
| 10 (C) | 90.1 |
| 11 (CH2) | 38.7 |
| 12 (CH2) | 21.1 |
| 13 (C) | 125.3 |
| 14 (CH) | 110.6 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.2 |
| 17 (CH3) | 7.7 |
| 18 (CH2) | 68.6 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 18.6 |
| 19a (C) | 169.7 |
| 19b (CH3) | 20.8 |
