Spektraris NMR
3b,16b-Diacetoxybetulinic acid
Common Name: 3b,16b-Diacetoxybetulinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-19(2)22-12-17-34(29(37)38)27(40-21(4)36)18-33(9)23(28(22)34)10-11-25-31(7)15-14-26(39-20(3)35)30(5,6)24(31)13-16-32(25,33)8/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1
InChIKey: InChIKey=SFKUEHZCBKPNEC-YDIKTAKISA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
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) | 28 |
| 3 (CH) | 78.3 |
| 4 (C) | 39 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 34.9 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 37 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 38.1 |
| 14 (C) | 44.2 |
| 15 (CH2) | 37.5 |
| 16 (CH) | 77.1 |
| 17 (C) | 59.5 |
| 18 (CH) | 49.5 |
| 19 (CH) | 47.3 |
| 20 (C) | 148.8 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 34.6 |
| 23 (CH3) | 27.7 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 15.9 |
| 28 (C) | 176.9 |
| 29 (CH2) | 110.6 |
| 30 (CH3) | 20.5 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.4 |
| 16a (C) | 170.9 |
| 16b (CH3) | 22.8 |
