Spektraris NMR
(+)-5-Hydroxymarsupellol acetate
Common Name: (+)-5-Hydroxymarsupellol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-9-11-12-13(14(19)15(9)20-10(2)18)17(11,5)8-6-7-16(12,3)4/h11-15,19H,1,6-8H2,2-5H3/t11-,12+,13+,14+,15+,17+/m0/s1
InChIKey: InChIKey=SSRSFLZAFQCYHK-WTUOYXTGSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
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) | 52.2 |
| 2 (CH) | 49.9 |
| 3 (C) | 149 |
| 4 (CH) | 79.6 |
| 5 (CH) | 80.1 |
| 6 (CH) | 44.3 |
| 7 (C) | 39.9 |
| 8 (CH2) | 40.6 |
| 9 (CH2) | 20.5 |
| 10 (CH2) | 38.1 |
| 11 (C) | 31.1 |
| 12 (CH3) | 26.3 |
| 13 (CH3) | 26.6 |
| 14 (CH3) | 24.6 |
| 15 (CH2) | 109.5 |
| 4a (C) | 173.1 |
| 4b (CH3) | 19.3 |
