Spektraris NMR
Baruol
Common Name: Baruol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=XJJAVFWIAXATMT-KNUFMLCHSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nuñez, M.J., López, M.R., Jiménez, I.A., Moujir, L.M., Ravelo, A.G., Bazzocchi, I.L. Tetrahedron Lett (2004) 45, 7367-70
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : DB-Friedobaccharane; 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) | 18.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 76.3 |
| 4 (C) | 40.8 |
| 5 (C) | 142 |
| 6 (CH) | 122 |
| 7 (CH2) | 23.7 |
| 8 (CH) | 44.7 |
| 9 (C) | 35.6 |
| 10 (CH) | 50 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 32.8 |
| 13 (C) | 36.5 |
| 14 (C) | 38 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 34.6 |
| 17 (C) | 31.9 |
| 18 (CH2) | 44.5 |
| 19 (CH2) | 43.3 |
| 20 (CH2) | 23.2 |
| 21 (CH) | 125.3 |
| 22 (C) | 130.8 |
| 23 (CH3) | 29 |
| 24 (CH3) | 25.4 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 32.9 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 25.7 |
