Spektraris NMR
(6R),(7S),(11R)-11,13-Dibenzoyloxy-4(15),10(14)-diene-guaiane-6R,12-olide
Common Name: (6R),(7S),(11R)-11,13-Dibenzoyloxy-4(15),10(14)-diene-guaiane-6R,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H28O7/c1-17-14-16-22-24(23-18(2)13-15-21(17)23)34-27(32)29(22,33)28(35-25(30)19-9-5-3-6-10-19)36-26(31)20-11-7-4-8-12-20/h3-12,21-24,28,33H,1-2,13-16H2/t21-,22+,23-,24-,29-/m0/s1
InChIKey: InChIKey=IVBAJGSOUWAOGE-QZCCEIIBSA-N
Formula: C29H28O7
Molecular Weight: 488.529517
Exact Mass: 488.183503
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) | 27.6 |
| 3 (CH2) | 32.9 |
| 4 (C) | 151.9 |
| 5 (CH) | 52.6 |
| 6 (CH) | 84.5 |
| 7 (CH) | 46.5 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 37.6 |
| 10 (C) | 149.2 |
| 11 (C) | 80.6 |
| 12 (C) | 172 |
| 13 (CH) | 63.5 |
| 14 (CH2) | 112.4 |
| 15 (CH2) | 109.3 |
| 1' (C) | 165.4 |
| 2' (C) | 128.85 |
| 3' (CH) | 130 |
| 4' (CH) | 128.63 |
| 5' (CH) | 133.9 |
| 6' (CH) | 128.63 |
| 7' (CH) | 130 |
| 1'' (C) | 164.6 |
| 2'' (C) | 128.77 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 128.6 |
| 5'' (CH) | 133.6 |
| 6'' (CH) | 128.6 |
| 7'' (CH) | 129.8 |
