Spektraris NMR
(20S)-3-Oxolupan-30-al
Common Name: (20S)-3-Oxolupan-30-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18-23,25H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=NZUNSIQTLLZQIV-RASYHJNMSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
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) | 217.8 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.6 |
| 8 (C) | 40.8 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 37.8 |
| 14 (C) | 43.1 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 35.2 |
| 17 (C) | 42.9 |
| 18 (CH) | 47 |
| 19 (CH) | 37.3 |
| 20 (CH) | 49.7 |
| 21 (CH2) | 23.6 |
| 22 (CH2) | 40.4 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.3 |
| 28 (CH3) | 17.9 |
| 29 (CH3) | 7.4 |
| 30 (CH) | 205.1 |
