Spektraris NMR
Methyl-3a,24-diacetoxyolean-12-en-28-oate
Common Name: Methyl-3a,24-diacetoxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-22(36)40-21-32(6)26-12-15-34(8)27(31(26,5)14-13-28(32)41-23(2)37)11-10-24-25-20-30(3,4)16-18-35(25,29(38)39-9)19-17-33(24,34)7/h10,25-28H,11-21H2,1-9H3/t25-,26+,27+,28+,31-,32+,33+,34+,35-/m0/s1
InChIKey: InChIKey=YBOFLPVKKZCDHJ-MBHXUXFKSA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miranda R.P., Delgado G., Vivar A.R. J Nat Prod (1986) 49, 225
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) | 33.6 |
| 2 (CH2) | 22.6 |
| 3 (CH) | 73.5 |
| 4 (C) | 40.6 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33 |
| 8 (C) | 39.6 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.8 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 23.2 |
| 17 (C) | 46.8 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 22 |
| 24 (CH2) | 66.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 26 |
| 28 (C) | 178.1 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.2 |
| 24a (C) | 171 |
| 24b (CH3) | 20.8 |
| 28a (CH3) | 51.4 |
