Spektraris NMR
Methyl 3a,25-Diacetoxyolean-12-en-28-oate
Common Name: Methyl 3a,25-Diacetoxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-22(36)40-21-35-15-13-28(41-23(2)37)31(5,6)26(35)12-14-33(8)27(35)11-10-24-25-20-30(3,4)16-18-34(25,29(38)39-9)19-17-32(24,33)7/h10,25-28H,11-21H2,1-9H3/t25-,26-,27-,28+,32+,33+,34-,35+/m0/s1
InChIKey: InChIKey=UGJUYQGLJPJOOO-MRLXXUIVSA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakai, K., Fukuda, Y., Matsunaga, S., Tanaka, R., Yamori, T. J Nat Prod (2004) 67, 1088-93
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) | 28.8 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 77.6 |
| 4 (C) | 36.2 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.4 |
| 9 (CH) | 48 |
| 10 (C) | 39.9 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.7 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 23 |
| 17 (C) | 46.6 |
| 18 (CH) | 41.1 |
| 19 (CH2) | 45.9 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 21.6 |
| 25 (CH2) | 63.5 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 26.4 |
| 28 (C) | 178.2 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
| 25a (C) | 170.6 |
| 25b (CH3) | 21.2 |
| 28a (CH3) | 51.6 |
