Spektraris NMR
Isoteucrin H4
Common Name: Isoteucrin H4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O6/c1-9-4-14-16-12(17(21)24-14)5-11(20)6-13(16)19(9)7-15(25-18(19)22)10-2-3-23-8-10/h2-3,8-9,11-12,14-15,20H,4-7H2,1H3/t9-,11+,12+,14-,15+,19-/m1/s1
InChIKey: InChIKey=GEQWDBTYASTNAP-LSESRZDXSA-N
Formula: C19H20O6
Molecular Weight: 344.359227
Exact Mass: 344.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., Jimeno, M.L. Magn Reson Chem (2004) 42, 605-16
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) | 32.23 |
| 2 (CH) | 64.34 |
| 3 (CH2) | 28.74 |
| 4 (CH) | 35.65 |
| 5 (C) | 132.37 |
| 6 (CH) | 74.6 |
| 7 (CH2) | 31.71 |
| 8 (CH) | 35.3 |
| 9 (C) | 50.8 |
| 10 (C) | 124.88 |
| 11 (CH2) | 40.17 |
| 12 (CH) | 72.04 |
| 13 (C) | 126.25 |
| 14 (CH) | 107.71 |
| 15 (CH) | 144.52 |
| 16 (CH) | 138.54 |
| 17 (CH3) | 15.34 |
| 18 (C) | 176.8 |
| 20 (C) | 176.66 |
