Spektraris NMR
8-Acetoxy-5-hydroxyumbelliprenin
Common Name: 8-Acetoxy-5-hydroxyumbelliprenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O6/c1-17(2)6-10-24(31-20(5)27)19(4)15-22(28)14-18(3)12-13-30-23-9-7-21-8-11-26(29)32-25(21)16-23/h6-9,11-12,15-16,22,24,28H,10,13-14H2,1-5H3/b18-12+,19-15+
InChIKey: InChIKey=GPZNNGDJDDVSLA-XYAZGONESA-N
Formula: C26H32O6
Molecular Weight: 440.529667
Exact Mass: 440.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Tagliapietra, S., Nano, G.M., Jakupovic, J. Phytochemistry (1994) 35, 183-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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) | 65.1 |
| 2 (CH) | 121.9 |
| 3 (C) | 138.3 |
| 4 (CH2) | 41.2 |
| 5 (CH) | 66 |
| 6 (CH) | 130 |
| 7 (C) | 135.7 |
| 8 (CH) | 78.2 |
| 9 (CH2) | 31.6 |
| 10 (CH) | 118.8 |
| 11 (C) | 134.3 |
| 12 (CH3) | 25.7 |
| 13 (CH3) | 17.8 |
| 14 (CH3) | 12.6 |
| 15 (CH3) | 17.1 |
| 2' (C) | 161.2 |
| 3' (CH) | 112.9 |
| 4' (CH) | 143.4 |
| 5' (CH) | 128.7 |
| 6' (CH) | 113 |
| 7' (C) | 161.9 |
| 8' (CH) | 101.5 |
| 9' (C) | 155.7 |
| 10' (C) | 112.4 |
| 8a (C) | 170.2 |
| 8b (CH3) | 21.1 |
