Spektraris NMR
6beta-(2xi-Metylbutyryloxy)eremophil-3,7(11),8-triene-8,12-olide-15-oic acid methyl ester
Common Name: 6beta-(2xi-Metylbutyryloxy)eremophil-3,7(11),8-triene-8,12-olide-15-oic acid methyl ester
Synonyms: 6beta-(2xi-Metylbutyryloxy)eremophil-3,7(11),8-triene-8,12-olide-15-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-6-11(2)18(22)27-17-16-12(3)19(23)26-15(16)10-13-8-7-9-14(20(24)25-5)21(13,17)4/h9-11,13,17H,6-8H2,1-5H3/t11?,13-,17-,21+/m1/s1
InChIKey: InChIKey=LWGCQRKMFZQHHZ-JZFDDSBWSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fei, D.Q., Li, S.G., Liu, C.M., Wu, G., Gao, K. J Nat Prod (2007) 70, 241-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) | 22.5 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 142.6 |
| 4 (C) | 131.7 |
| 5 (C) | 42.2 |
| 6 (CH) | 67.2 |
| 7 (C) | 148.5 |
| 8 (C) | 143.8 |
| 9 (CH) | 108.5 |
| 10 (CH) | 37.2 |
| 11 (C) | 126.7 |
| 12 (C) | 171.3 |
| 13 (CH3) | 8.9 |
| 14 (CH3) | 23.4 |
| 15 (C) | 166.5 |
| 6a (C) | 175.5 |
| 6b (CH) | 41.4 |
| 6c (CH2) | 26.7 |
| 6d (CH3) | 11.3 |
| 6ba (CH3) | 16.4 |
| 15a (CH3) | 51.7 |
