Spektraris NMR
Paeonilactone C
Common Name: Paeonilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11?,12-,13?,17+/m1/s1
InChIKey: InChIKey=BDKBBWGLLDEQEV-KHOMISBKSA-N
Formula: C17H18O6
Molecular Weight: 318.321873
Exact Mass: 318.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hayashi, T., Shinbo, T., Shimizu, M., Arisawa, M., Morita, N., Kimura, M., Matsuda, S., Kikuchi, T. Tetrahedron Lett (1985) 26, 3699-702
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 73.9 |
| 2 (CH2) | 42 |
| 3 (CH) | 73.4 |
| 4 (CH) | 38.7 |
| 5 (CH2) | 35.8 |
| 6 (C) | 210.3 |
| 7 (CH3) | 27.8 |
| 8 (CH) | 43.4 |
| 9 (C) | 173.6 |
| 10 (CH2) | 60.9 |
| 10a (C) | 166.1 |
| 10b (C) | 133.6 |
| 10c (CH) | 129.9 |
| 10d (CH) | 128.6 |
| 10e (CH) | 133 |
| 10f (CH) | 128.6 |
| 10g (CH) | 129.9 |
