Spektraris NMR
Crithmifolide
Common Name: Crithmifolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O6/c1-6-7-4-5-14(2)10(16)8(9(7)19-12(6)17)15(3)11(20-15)13(18)21-14/h7-9,11,13,18H,1,4-5H2,2-3H3/t7-,8+,9-,11?,13?,14?,15?/m0/s1
InChIKey: InChIKey=NPBFXZQVEHCIBA-QZDZPCRWSA-N
Formula: C15H18O6
Molecular Weight: 294.300402
Exact Mass: 294.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Todorova, M.N., Markova, M.M., Tsankova, E.T. Phytochemistry (1998) 49, 2429-32
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 (C) | 207.5 |
| 2 (CH) | 90.1 |
| 3 (CH) | 64.9 |
| 4 (C) | 63.4 |
| 5 (CH) | 64 |
| 6 (CH) | 81.1 |
| 7 (CH) | 45.5 |
| 8 (CH2) | 23.9 |
| 9 (CH2) | 41.1 |
| 10 (C) | 83.4 |
| 11 (C) | 137.7 |
| 12 (C) | 169.4 |
| 13 (CH2) | 121.1 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 23.6 |
