Spektraris NMR
3β-acetoxy-8-oxoeremophil-6(7),9(10)-dien-12-oic methylester
Common Name: 3β-acetoxy-8-oxoeremophil-6(7),9(10)-dien-12-oic methylester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O5/c1-10(17(21)22-5)14-9-18(4)11(2)16(23-12(3)19)7-6-13(18)8-15(14)20/h8-11,16H,6-7H2,1-5H3/t10?,11-,16-,18+/m0/s1
InChIKey: InChIKey=TUTCUYPAPHCCJT-GFMMNJTKSA-N
Formula: C18H24O5
Molecular Weight: 320.380849
Exact Mass: 320.162374
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) | 27.9 |
| 2 (CH2) | 32.6 |
| 3 (CH) | 73.1 |
| 4 (CH) | 42.8 |
| 5 (C) | 43.3 |
| 6 (CH) | 150.1 |
| 7 (C) | 136.5 |
| 8 (C) | 184.5 |
| 9 (CH) | 124.3 |
| 10 (C) | 166.9 |
| 11 (CH) | 37.9 |
| 12 (C) | 177.5 |
| 13 (CH3) | 16.5 |
| 14 (CH3) | 20.1 |
| 15 (CH3) | 12.4 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.3 |
| 12a (CH3) | 52 |
