Spektraris NMR
3b,16b-Diacetoxybetulinic acid methyl ester
Common Name: 3b,16b-Diacetoxybetulinic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-20(2)23-13-18-35(30(38)39-10)28(41-22(4)37)19-34(9)24(29(23)35)11-12-26-32(7)16-15-27(40-21(3)36)31(5,6)25(32)14-17-33(26,34)8/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26+,27-,28-,29+,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=DNVGTOKVOKVNDS-QVSQDVDYSA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mbaze, L.M., Poumale, H.M.P., Wansi, J.P., Lado, J.A., Khan, S.N., Iqbal, M.C., Ngadjui, B.T., Laatsch, H. Phytochemistry (2007) 68, 591
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) | 36.6 |
| 2 (CH2) | 24.5 |
| 3 (CH) | 78.3 |
| 4 (C) | 34.6 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.4 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.5 |
| 10 (C) | 30.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 22.8 |
| 13 (CH) | 37.1 |
| 14 (C) | 44 |
| 15 (CH2) | 34.6 |
| 16 (CH) | 76.8 |
| 17 (C) | 59.5 |
| 18 (CH) | 49.5 |
| 19 (CH) | 47.7 |
| 20 (C) | 151.3 |
| 21 (CH2) | 27.8 |
| 22 (CH2) | 34.2 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 18 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15.9 |
| 28 (C) | 173.5 |
| 29 (CH2) | 110.7 |
| 30 (CH3) | 20.6 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.4 |
| 16a (C) | 170.9 |
| 16b (CH3) | 21.3 |
| 28a (CH3) | 51.5 |
