Spektraris NMR
3b-Acetoxy-16b-hydroxybetulinic acid
Common Name: 3b-Acetoxy-16b-hydroxybetulinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-18(2)20-11-16-32(27(35)36)24(34)17-31(8)21(26(20)32)9-10-23-29(6)14-13-25(37-19(3)33)28(4,5)22(29)12-15-30(23,31)7/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21+,22-,23+,24-,25-,26+,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=YFCJVNPEQIVRMM-NUMAWVHMSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
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) | 78.4 |
| 4 (C) | 39.3 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 37.8 |
| 14 (C) | 44.2 |
| 15 (CH2) | 34.1 |
| 16 (CH) | 76.1 |
| 17 (C) | 60.7 |
| 18 (CH) | 48.9 |
| 19 (CH) | 46.8 |
| 20 (C) | 149.4 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 33.9 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 21.4 |
| 28 (C) | 177.9 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.5 |
| 3a (C) | 171 |
| 3b (CH3) | 21.6 |
