Spektraris NMR
Preaustinoid A
Common Name: Preaustinoid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23?,24+,25+,26?/m0/s1
InChIKey: InChIKey=IRPHRMHQEPXQQF-HZFHDXQCSA-N
Formula: C26H36O6
Molecular Weight: 444.56143
Exact Mass: 444.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geris dos Santos R.M., Rodrigues-Fo E. Phytochemistry (2002) 61, 907-12
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) | 39 |
| 2 (CH2) | 33.5 |
| 3 (C) | 217 |
| 4 (C) | 47 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.2 |
| 8 (C) | 47.7 |
| 9 (CH) | 51.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 39.2 |
| 12 (CH3) | 16.8 |
| 13 (CH3) | 16 |
| 14 (CH3) | 20.9 |
| 15 (CH3) | 26.9 |
| 1' (CH2) | 112.7 |
| 2' (C) | 145 |
| 3' (C) | 51 |
| 4' (C) | 207.8 |
| 5' (C) | 80.1 |
| 6' (C) | 203.9 |
| 7' (C) | 72.5 |
| 8' (C) | 168.5 |
| 9' (CH3) | 22.1 |
| 10' (CH3) | 15.1 |
| 8'a (CH3) | 52.5 |
