Spektraris NMR
(6R),(7S),(11R)-11-Hydroxy-13-benzoyloxy-4(15),10(14)-dieneguaiane-6R,12-olide
Common Name: (6R),(7S),(11R)-11-Hydroxy-13-benzoyloxy-4(15),10(14)-dieneguaiane-6R,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-13-9-11-17-19(18-14(2)8-10-16(13)18)27-21(24)22(17,25)12-26-20(23)15-6-4-3-5-7-15/h3-7,16-19,25H,1-2,8-12H2/t16-,17+,18-,19-,22-/m0/s1
InChIKey: InChIKey=RBLVHCWYQMYXJP-PQTWGXLHSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Garcia-Diaz, M.D., Perez-de-Luque, A., Rubiales, D., Galindo, J.C.G. J Agric Food Chem (2009) 57, 5853-64
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) | 47.1 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 32.7 |
| 4 (C) | 151.6 |
| 5 (CH) | 52.6 |
| 6 (CH) | 83.8 |
| 7 (CH) | 51.5 |
| 8 (CH2) | 31.2 |
| 9 (CH2) | 37.7 |
| 10 (C) | 149.9 |
| 11 (C) | 76.1 |
| 12 (C) | 176.6 |
| 13 (CH2) | 65 |
| 14 (CH2) | 112.6 |
| 15 (CH2) | 109.8 |
| 1' (C) | 166.2 |
| 2' (C) | 129.3 |
| 3' (CH) | 130.1 |
| 4' (CH) | 128.9 |
| 5' (CH) | 133.9 |
| 6' (CH) | 128.9 |
| 7' (CH) | 130.1 |
