Spektraris NMR
6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8a-methoxyeremophil-7(11)-en-12,8b-olide
Common Name: 6b-(2'-Methylbutanoyloxy)-10b-hydroxy-8a-methoxyeremophil-7(11)-en-12,8b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-7-12(2)17(22)26-16-15-14(4)18(23)27-21(15,25-6)11-20(24)10-8-9-13(3)19(16,20)5/h12-13,16,24H,7-11H2,1-6H3/t12?,13-,16+,19-,20-,21+/m0/s1
InChIKey: InChIKey=UDVLOCQBYDZUGP-RITKGDBTSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, X.Q., Gao, K., Jia, Z.J. Planta Med (2003) 69, 356-60
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) | 35.4 |
| 2 (CH2) | 15.9 |
| 3 (CH2) | 28 |
| 4 (CH) | 32.1 |
| 5 (C) | 47.9 |
| 6 (CH) | 71.7 |
| 7 (C) | 154.6 |
| 8 (C) | 104.3 |
| 9 (CH2) | 48.1 |
| 10 (C) | 73.5 |
| 11 (C) | 126.4 |
| 12 (C) | 171.1 |
| 13 (CH3) | 8.6 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 16.9 |
| 6a (C) | 175.6 |
| 6b (CH) | 41.25 |
| 6c (CH2) | 26.2 |
| 6d (CH3) | 11.7 |
| 6ba (CH3) | 16.9 |
| 8a (CH3) | 50.4 |
