Spektraris NMR
Lupa-20(29)-ene-3beta,24-diol
Common Name: Lupa-20(29)-ene-3beta,24-diol
Synonyms: Lupa-20(29)-ene-3beta,24-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-13-26(3)16-17-29(6)21(25(20)26)8-9-23-27(4)14-12-24(32)28(5,18-31)22(27)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=RFCPTXGFYWKJJB-IUCVLLJHSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Tabuse M., Matsunaga S. Phytochemistry (1988) 27, 3563
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) | 38.5 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 80.9 |
| 4 (C) | 42.8 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.8 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.5 |
| 10 (C) | 38 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 36.9 |
| 14 (C) | 42.8 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43 |
| 18 (CH) | 48 |
| 19 (CH) | 48.3 |
| 20 (C) | 150.9 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40 |
| 23 (CH3) | 22.4 |
| 24 (CH2) | 64.5 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.3 |
