Spektraris NMR
3a-hydroxy-lup-20(29)-en-24-oic acid methyl
Common Name: 3a-hydroxy-lup-20(29)-en-24-oic acid methyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-19(2)20-11-14-27(3)17-18-29(5)21(25(20)27)9-10-22-28(4)15-13-24(32)31(7,26(33)34-8)23(28)12-16-30(22,29)6/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24+,25+,27+,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=BLIZURZRVPGHSK-QQTFKYAXSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli G., Mathe C., Archier P., Vieillescazes C. Phytochemistry (2003) 62, 537-41
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) | 33.9 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 71.1 |
| 4 (C) | 47.6 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 49.7 |
| 10 (C) | 37.6 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38.1 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43 |
| 18 (CH) | 48.2 |
| 19 (CH) | 48 |
| 20 (C) | 151 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 40 |
| 23 (CH3) | 24 |
| 24 (C) | 177.7 |
| 25 (CH3) | 13.3 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
| 24a (CH3) | 51.1 |
