Spektraris NMR
Chaparrinone
Common Name: Chaparrinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=VLYMLZRDCSQUQF-RZUZYEBMSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hamburger, M., Cordell, G. Planta Med (1988) 0, 352
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Picrasanes; 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) | 82.54 |
| 2 (C) | 197.09 |
| 3 (CH) | 124.87 |
| 4 (C) | 162.46 |
| 5 (CH) | 41.21 |
| 6 (CH2) | 25.04 |
| 7 (CH) | 77.64 |
| 8 (C) | 44.98 |
| 9 (CH) | 43.15 |
| 10 (C) | 44.35 |
| 11 (C) | 108.97 |
| 12 (CH) | 78 |
| 13 (CH) | 30.45 |
| 14 (CH) | 41.04 |
| 15 (CH2) | 29.44 |
| 16 (C) | 169.83 |
| 17 (CH2) | 70.18 |
| 18 (CH3) | 12.75 |
| 19 (CH3) | 9.55 |
| 28 (CH3) | 22.28 |
