Spektraris NMR
22β-Hydroxylupeol
Common Name: 22β-Hydroxylupeol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-18(2)19-17-24(32)28(6)15-16-29(7)20(25(19)28)9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=JQCKWPKLGOIYEU-SYLJLJFDSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - David, J.P., Ferrari, J., David, J.M., Guimaraes, A.G., Lima, F., de Souza, G.L.S. J Braz Chem Soc (2007) 18, 1585-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.8 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 79.7 |
| 4 (C) | 39.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 33.7 |
| 17 (C) | 45.3 |
| 18 (CH) | 45.1 |
| 19 (CH) | 45.9 |
| 20 (C) | 150.3 |
| 21 (CH2) | 38.9 |
| 22 (CH) | 78 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 12.2 |
| 29 (CH2) | 109.8 |
| 30 (CH3) | 19.3 |
