Spektraris NMR
3b,29-dihydroxylup-20(30)-en-28-al
Common Name: 3b,29-dihydroxylup-20(30)-en-28-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/h18,20-25,31,33H,1,7-17H2,2-6H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=FZKUFVTYLSMUFO-ROUWMTJPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, H., Li, B.G., Wu, Z.J., Zhang, G.L. Planta Med (2006) 72, 180-3
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) | 38.7 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 38.6 |
| 14 (C) | 42.5 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 31.7 |
| 17 (C) | 59.3 |
| 18 (CH) | 48.6 |
| 19 (CH) | 43.2 |
| 20 (C) | 154.1 |
| 21 (CH2) | 28.9 |
| 22 (CH2) | 32.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.3 |
| 28 (CH) | 206.4 |
| 29 (CH2) | 107.4 |
| 30 (CH2) | 65 |
