Spektraris NMR
3b-Acetoxy-16b-hydroxybetulinic acid methyl ester
Common Name: 3b-Acetoxy-16b-hydroxybetulinic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-19(2)21-12-17-33(28(36)37-9)25(35)18-32(8)22(27(21)33)10-11-24-30(6)15-14-26(38-20(3)34)29(4,5)23(30)13-16-31(24,32)7/h21-27,35H,1,10-18H2,2-9H3/t21-,22+,23-,24+,25-,26-,27+,30-,31+,32+,33-/m0/s1
InChIKey: InChIKey=JXAROAVTFZCNOY-QYZSVLDBSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
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) | 22.8 |
| 3 (CH) | 78.3 |
| 4 (C) | 37.1 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.7 |
| 10 (C) | 33.9 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 25 |
| 13 (CH) | 38.2 |
| 14 (C) | 44.1 |
| 15 (CH2) | 39.7 |
| 16 (CH) | 76.3 |
| 17 (C) | 61.4 |
| 18 (CH) | 49.3 |
| 19 (CH) | 47.5 |
| 20 (C) | 149.5 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 34 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 18 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15.8 |
| 28 (C) | 176.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 20.6 |
| 3a (C) | 170 |
| 3b (CH3) | 21.4 |
| 28a (CH3) | 51.6 |
