Spektraris NMR
19-Deoxyisoicetexone
Common Name: 19-Deoxyisoicetexone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-11(2)15-16(21)12-5-6-14-19(3)7-4-8-20(14,24-10-19)9-13(12)17(22)18(15)23/h5,9,11,14,23H,4,6-8,10H2,1-3H3/t14-,19+,20-/m0/s1
InChIKey: InChIKey=NFFVGGLUWSQBPP-KPOBHBOGSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Calderon, J.S., Flores, E., Sanchez, A.A., Rivera, R.R. Phytochemistry (1997) 46, 531-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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) | 38.7 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38 |
| 4 (C) | 46 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 25.3 |
| 7 (CH) | 145.1 |
| 8 (C) | 126 |
| 9 (C) | 132 |
| 10 (C) | 86 |
| 11 (C) | 182.6 |
| 12 (C) | 154.7 |
| 13 (C) | 126 |
| 14 (C) | 184.5 |
| 15 (CH) | 25 |
| 16 (CH3) | 19.4 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 19.5 |
| 19 (CH2) | 73.8 |
| 20 (CH) | 143.8 |
