Spektraris NMR
Acetylpelseneeriol-2
Common Name: Acetylpelseneeriol-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-12-9-16(20-14(3)18)10-13(2)17(12,4)7-5-15-6-8-19-11-15/h6,8-9,11,13,16H,5,7,10H2,1-4H3/t13-,16-,17-/m1/s1
InChIKey: InChIKey=HZTWUUKRDYBPMK-KBRIMQKVSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gaspar, H., Cutignano, A., Ferreira, T., Calado, G., Cimino, G., Fontana, A. J Nat Prod (2008) 71, 2053-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Friedocyclofarnesanes; 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 (C) | 144.3 |
| 2 (CH) | 124.8 |
| 3 (CH) | 70.8 |
| 4 (CH2) | 31.8 |
| 5 (CH) | 32.4 |
| 6 (C) | 41 |
| 7 (CH2) | 36 |
| 8 (CH2) | 19.7 |
| 9 (C) | 125.3 |
| 10 (CH) | 110.9 |
| 11 (CH) | 142.8 |
| 12 (CH3) | 19 |
| 13 (CH3) | 20 |
| 14 (CH3) | 15.9 |
| 15 (CH) | 138.6 |
| 3a (C) | 171 |
| 3b (CH3) | 21.1 |
