Spektraris NMR
(20R)-28-Hydroxy-3-oxo-lupan-30-al
Common Name: (20R)-28-Hydroxy-3-oxo-lupan-30-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h17,19-23,25,32H,7-16,18H2,1-6H3/t19-,20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=CBDKCJANRGOIIK-URCKAGISSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mutai, C., Abatis, D., Vagias, C., Moreau, D., Roussakis, C., Roussis, V. Molecules (2007) 12, 1035-44
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) | 39.5 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 37 |
| 14 (C) | 42.9 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 29.1 |
| 17 (C) | 47.8 |
| 18 (CH) | 49.3 |
| 19 (CH) | 42.7 |
| 20 (CH) | 49 |
| 21 (CH2) | 24.9 |
| 22 (CH2) | 33.7 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.5 |
| 28 (CH2) | 60.1 |
| 29 (CH3) | 14.5 |
| 30 (CH) | 206.7 |
