Spektraris NMR
3b-(2-methylbutanoyloxy)-8bH-eremophil-7(11)-ene-12,8a-(14,6a)-diolide
Common Name: 3b-(2-methylbutanoyloxy)-8bH-eremophil-7(11)-ene-12,8a-(14,6a)-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-5-9(2)17(21)24-12-7-6-11-8-13-14(10(3)18(22)25-13)16-20(11,4)15(12)19(23)26-16/h9,11-13,15-16H,5-8H2,1-4H3/t9?,11-,12+,13+,15-,16+,20+/m1/s1
InChIKey: InChIKey=IRRGZHQOVQRPSV-COLAGSKMSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, Y.F., Pan, J., Gao, K., Jia, Z.J. Chem Pharm Bull (2005) 53, 1338-41
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) | 21 |
| 2 (CH2) | 25.1 |
| 3 (CH) | 64.4 |
| 4 (CH) | 42.5 |
| 5 (C) | 44.2 |
| 6 (CH) | 82.8 |
| 7 (C) | 154 |
| 8 (CH) | 77.4 |
| 9 (CH2) | 32.1 |
| 10 (CH) | 34.8 |
| 11 (C) | 126.2 |
| 12 (C) | 171.1 |
| 13 (CH3) | 9.3 |
| 14 (CH3) | 23.2 |
| 15 (C) | 173.1 |
| 3a (C) | 175.5 |
| 3b (CH) | 41.3 |
| 3c (CH2) | 26.7 |
| 3d (CH3) | 11.4 |
| 3e (CH3) | 16.4 |
