Spektraris NMR
3β-acetoxy-10β-hydroxy-6β-methoxy-eremophil-7(11),8(9)-dien-8,12-olide
Common Name: 3β-acetoxy-10β-hydroxy-6β-methoxy-eremophil-7(11),8(9)-dien-8,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O6/c1-9-14-13(24-16(9)20)8-18(21)7-6-12(23-11(3)19)10(2)17(18,4)15(14)22-5/h8,10,12,15,21H,6-7H2,1-5H3/t10-,12-,15+,17-,18-/m0/s1
InChIKey: InChIKey=PJMXTJZAXLBPAG-NVZUCMIPSA-N
Formula: C18H24O6
Molecular Weight: 336.380254
Exact Mass: 336.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, W.X., Lei, M., Fei, D.Q., Gao, K. Planta Med (2009) 75, 635-40
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) | 30.1 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 72.9 |
| 4 (CH) | 37 |
| 5 (C) | 45.4 |
| 6 (CH) | 78.5 |
| 7 (C) | 147.9 |
| 8 (C) | 143.8 |
| 9 (CH) | 112.1 |
| 10 (C) | 73.7 |
| 11 (C) | 126.4 |
| 12 (C) | 170.2 |
| 13 (CH3) | 9.3 |
| 14 (CH3) | 12.4 |
| 15 (CH3) | 13 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.3 |
| 6a (CH3) | 58.2 |
