Spektraris NMR
7,8-Epoxy-9-(isobutyryloxy)thymolisobutyrate
Common Name: 7,8-Epoxy-9-(isobutyryloxy)thymolisobutyrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKey: InChIKey=OLARKEMZPWGFJU-UHFFFAOYSA-N
Formula: C18H24O5
Molecular Weight: 320.380849
Exact Mass: 320.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mossa, J.S., ElFeraly, F.S., Muhammad, I., Zaw, K., Mbwambo, Z.H., Pezzuto, J.M., Fong, H.H.S. J Nat Prod (1997) 60, 550-5
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 126 |
| 2 (C) | 148.5 |
| 3 (CH) | 122.9 |
| 4 (C) | 139.9 |
| 5 (CH) | 126.7 |
| 6 (CH) | 128.9 |
| 7 (C) | 56.9 |
| 8 (CH2) | 50.7 |
| 9 (CH2) | 64.8 |
| 10 (CH3) | 21.1 |
| 2a (C) | 176.4 |
| 2b (CH) | 33.8 |
| 2c (CH3) | 19 |
| 2ba (CH3) | 18.9 |
| 9a (C) | 175.3 |
| 9b (CH) | 34.2 |
| 9c (CH3) | 18.6 |
| 9ba (CH3) | 18.6 |
