Spektraris NMR
methyl 2a, 3a, 23,24-tetraacetoxy-19a-hydroxy-olean-12-en-28-oute
Common Name: methyl 2a, 3a, 23,24-tetraacetoxy-19a-hydroxy-olean-12-en-28-oute
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H58O11/c1-22(40)47-20-39(21-48-23(2)41)29-13-14-37(9)28(35(29,7)19-27(49-24(3)42)32(39)50-25(4)43)12-11-26-30-31(44)34(5,6)15-17-38(30,33(45)46-10)18-16-36(26,37)8/h11,27-32,44H,12-21H2,1-10H3/t27-,28-,29-,30-,31+,32-,35-,36-,37-,38+/m1/s1
InChIKey: InChIKey=KXUFRQUHEQBISI-FSPJNOBISA-N
Formula: C39H58O11
Molecular Weight: 702.872718
Exact Mass: 702.397913
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Goulart, M.O.F., Santana, A.E.G., Alves, R.J., Desouza, J.D., Maia, J.G.S., Deoliveira, G.G., Deoliveira, A.B. Phytochemistry (1994) 37, 1139-42
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.9 |
| 2 (CH) | 69.3 |
| 3 (CH) | 74.3 |
| 4 (C) | 41.2 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 32.6 |
| 8 (C) | 39.6 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.9 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 124.4 |
| 13 (C) | 143 |
| 14 (C) | 41.1 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 28 |
| 17 (C) | 45.4 |
| 18 (CH) | 43.8 |
| 19 (CH) | 81.7 |
| 20 (C) | 34.7 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 32.5 |
| 23 (CH2) | 63.6 |
| 24 (CH2) | 62.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 24.2 |
| 28 (C) | 178.4 |
| 29 (CH3) | 24.8 |
| 30 (CH3) | 24.5 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21 |
| 3a (C) | 170.4 |
| 3b (CH3) | 20.7 |
| 23a (C) | 170.2 |
| 23b (CH3) | 20.3 |
| 24a (C) | 170.1 |
| 24b (CH3) | 20.9 |
| 28a (CH3) | 51.8 |
