Spektraris NMR
cynaropicrin
Common Name: cynaropicrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
InChIKey: InChIKey=KHSCYOFDKADJDJ-NQLMQOPMSA-N
Formula: C19H22O6
Molecular Weight: 346.375108
Exact Mass: 346.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yayli, N., Baltaci, C., Gok, Y., Aydin, E., Ucuncu, O. Turk J Chem (2006) 30, 229-33
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 45.28 |
| 2 (CH2) | 39.02 |
| 3 (CH) | 73.74 |
| 4 (C) | 152.14 |
| 5 (CH) | 51.35 |
| 6 (CH) | 78.42 |
| 7 (CH) | 47.52 |
| 8 (CH) | 74.29 |
| 9 (CH2) | 36.97 |
| 10 (C) | 137.2 |
| 11 (C) | 139.11 |
| 12 (C) | 169.27 |
| 13 (CH2) | 122.77 |
| 14 (CH2) | 118.26 |
| 15 (CH2) | 113.64 |
| 8a (C) | 165.27 |
| 8b (C) | 141.65 |
| 8c (CH2) | 62.3 |
| 8d (CH2) | 126.8 |
