Spektraris NMR
2β-Acetoxyualparol-8(14)-en-3-one
Common Name: 2β-Acetoxyualparol-8(14)-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-13(2)16-7-10-22(6)18(16)8-9-21(5)12-19(25-15(4)24)17(14(3)23)11-20(21)22/h13,17,19-20H,7-12H2,1-6H3/t17-,19+,20-,21-,22-/m1/s1
InChIKey: InChIKey=MMXWAARCULBEKT-SGCGGLILSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodilla, J.M.L., De Mendonca, D.I.M., Urones, J.G., Moro, R.F. Phytochemistry (1998) 49, 817-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valparanes; 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) | 48.3 |
| 2 (CH) | 76.3 |
| 3 (C) | 209 |
| 4 (CH) | 38.8 |
| 5 (CH2) | 35.4 |
| 6 (CH) | 58.8 |
| 7 (C) | 48.2 |
| 8 (C) | 141.7 |
| 9 (CH2) | 23.1 |
| 10 (CH2) | 44.7 |
| 11 (C) | 41 |
| 12 (CH2) | 44.4 |
| 13 (CH2) | 28.1 |
| 14 (C) | 138.4 |
| 15 (CH) | 26.7 |
| 16 (CH3) | 21.6 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 21.3 |
| 19 (CH3) | 30 |
| 20 (CH3) | 27 |
| 2a (C) | 171.4 |
| 2b (CH3) | 21.4 |
