Spektraris NMR
(-)-4-epi-Marsupellol Acetate
Common Name: (-)-4-epi-Marsupellol Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O2/c1-10-13(19-11(2)18)9-12-15-14(10)17(12,5)8-6-7-16(15,3)4/h12-15H,1,6-9H2,2-5H3/t12-,13+,14-,15-,17-/m0/s1
InChIKey: InChIKey=RCEFXIVQCAIFDV-PFFSRIRZSA-N
Formula: C17H26O2
Molecular Weight: 262.38778
Exact Mass: 262.19328
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Adio, A.M., Paul, C., Konig, W.A., Muhle, H. Phytochemistry (2002) 61, 79-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Longipinanes; 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 (CH) | 52.5 |
| 2 (CH) | 50.5 |
| 3 (C) | 152 |
| 4 (CH) | 68 |
| 5 (CH2) | 34.9 |
| 6 (CH) | 39.4 |
| 7 (C) | 43.6 |
| 8 (CH2) | 41.9 |
| 9 (CH2) | 21.8 |
| 10 (CH2) | 39.7 |
| 11 (C) | 32.9 |
| 12 (CH3) | 28.4 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 23.4 |
| 15 (CH2) | 107.5 |
| 4a (C) | 170.1 |
| 4b (CH3) | 21 |
