Spektraris NMR
2a,6a-Dihydroxybetulinic acid
Common Name: 2a,6a-Dihydroxybetulinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-16(2)17-10-11-30(25(34)35)13-12-28(6)18(22(17)30)8-9-21-27(5)14-20(32)24(33)26(3,4)23(27)19(31)15-29(21,28)7/h17-24,31-33H,1,8-15H2,2-7H3,(H,34,35)/t17-,18+,19-,20+,21+,22+,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=HWFGKGTUJQBDEU-ZITHRRQFSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Q., ElSohly, H.N., Li, X.C., Walker, L.A. Planta Med (2003) 69, 582-4
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) | 48.4 |
| 2 (CH) | 69.8 |
| 3 (CH) | 84.9 |
| 4 (C) | 41.8 |
| 5 (CH) | 62 |
| 6 (CH) | 69.2 |
| 7 (CH2) | 47.5 |
| 8 (C) | 43.3 |
| 9 (CH) | 51.7 |
| 10 (C) | 41.7 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 39.6 |
| 14 (C) | 44.1 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 33.8 |
| 17 (C) | 58 |
| 18 (CH) | 50.9 |
| 19 (CH) | 48.9 |
| 20 (C) | 152.3 |
| 21 (CH2) | 32.1 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 32.4 |
| 24 (CH3) | 17.6 |
| 25 (CH3) | 19.2 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 15.5 |
| 28 (C) | 182 |
| 29 (CH2) | 110.6 |
| 30 (CH3) | 20 |
