Spektraris NMR
10,11,5í-Trihydroxyumbelliprenin
Common Name: 10,11,5í-Trihydroxyumbelliprenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-16(8-10-22(26)24(3,4)28)6-5-7-17(2)12-13-29-18-14-20(25)19-9-11-23(27)30-21(19)15-18/h6,9,11-12,14-15,22,25-26,28H,5,7-8,10,13H2,1-4H3/b16-6+,17-12+/t22-/m0/s1
InChIKey: InChIKey=YYIUCUSMWAUULF-DWNQJAGUSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Zen, H., Nano, G.M., Cisero, M. Phytochemistry (1992) 31, 4223-6
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) | 65.3 |
| 2 (CH) | 119.3 |
| 3 (C) | 141.2 |
| 4 (CH2) | 39.1 |
| 5 (CH2) | 25.2 |
| 6 (CH) | 124.5 |
| 7 (C) | 135 |
| 8 (CH2) | 36.6 |
| 9 (CH2) | 29.2 |
| 10 (CH) | 78.2 |
| 11 (C) | 73.6 |
| 12 (CH3) | 26.4 |
| 13 (CH3) | 23.3 |
| 14 (CH3) | 15.8 |
| 15 (CH3) | 16.4 |
| 2' (C) | 162.5 |
| 3' (CH) | 110.4 |
| 4' (CH) | 139.1 |
| 5' (C) | 154.5 |
| 6' (CH) | 97.7 |
| 7' (C) | 162 |
| 8' (CH) | 98.4 |
| 9' (C) | 156.7 |
| 10' (C) | 103.3 |
