Spektraris NMR
8β-methoxyeremophil-7(11)-en-12,8α-(14β,6α)-diolide
Common Name: 8β-methoxyeremophil-7(11)-en-12,8α-(14β,6α)-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O5/c1-8-11-12-15(2)9(5-4-6-10(15)14(18)20-12)7-16(11,19-3)21-13(8)17/h9-10,12H,4-7H2,1-3H3/t9-,10-,12+,15+,16+/m1/s1
InChIKey: InChIKey=MCYJAEZRMRSNGT-VNTCJJKQSA-N
Formula: C16H20O5
Molecular Weight: 292.327614
Exact Mass: 292.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.S., Wang, Z.T., Luo, S.D., Li, S.S., Zhu, D.Y. Nat Prod Res (2006) 20, 724-30
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) | 19.2 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 24.1 |
| 4 (CH) | 40.8 |
| 5 (C) | 44.6 |
| 6 (CH) | 82.5 |
| 7 (C) | 151.1 |
| 8 (C) | 105.6 |
| 9 (CH2) | 35.2 |
| 10 (CH) | 34.5 |
| 11 (C) | 129.2 |
| 12 (C) | 170.3 |
| 13 (CH3) | 9 |
| 14 (CH3) | 20 |
| 15 (C) | 174.9 |
| 8a (CH3) | 50.5 |
