Spektraris NMR
14-Acetoxybadrakemin
Common Name: 14-Acetoxybadrakemin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O6/c1-16-5-9-22-25(3,12-11-23(28)26(22,4)15-31-17(2)27)20(16)14-30-19-8-6-18-7-10-24(29)32-21(18)13-19/h6-8,10,13,20,22-23,28H,1,5,9,11-12,14-15H2,2-4H3/t20-,22+,23+,25+,26+/m1/s1
InChIKey: InChIKey=SRHUJPJGKASGRN-GDWSFLSUSA-N
Formula: C26H32O6
Molecular Weight: 440.529667
Exact Mass: 440.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Zen, ., Tagliapietra, S., Cisero, M. Phytochemistry (1992) 31, 3211-3
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 31.5 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 70.3 |
| 4 (C) | 41.5 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 37.6 |
| 8 (C) | 146 |
| 9 (CH) | 54.7 |
| 10 (C) | 38.5 |
| 11 (CH2) | 65.6 |
| 12 (CH2) | 107.9 |
| 13 (CH3) | 20.9 |
| 14 (CH2) | 67.2 |
| 15 (CH3) | 15.9 |
| 2' (C) | 162.2 |
| 3' (CH) | 113.1 |
| 4' (CH) | 143.4 |
| 5' (CH) | 128.7 |
| 6' (CH) | 113 |
| 7' (C) | 161.2 |
| 8' (CH) | 101.4 |
| 9' (C) | 155.9 |
| 10' (C) | 112.4 |
| 14a (C) | 171.1 |
| 14b (CH3) | 22.6 |
