Spektraris NMR
3beta-Acetoxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
Common Name: 3beta-Acetoxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
Synonyms: 3beta-Acetoxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C33H50O4/c1-21-14-17-33(29(35)36-9)19-18-30(4,5)20-26(33)24(21)11-12-25-22(2)10-13-27-31(6,7)28(37-23(3)34)15-16-32(25,27)8/h12,26-28H,2,10-11,13-20H2,1,3-9H3/b25-12+/t26-,27-,28-,32+,33+/m0/s1
InChIKey: InChIKey=LLFJJGJBZHFCGT-YNZMHELNSA-N
Formula: C33H50O4
Molecular Weight: 510.748942
Exact Mass: 510.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
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) | 34.9 |
| 2 (CH2) | 24.4 |
| 3 (CH) | 81.1 |
| 4 (C) | 38.4 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 23.1 |
| 7 (CH2) | 37.1 |
| 8 (C) | 145.3 |
| 9 (C) | 150.6 |
| 10 (C) | 40.4 |
| 11 (CH) | 117.6 |
| 12 (CH2) | 30 |
| 13 (C) | 133.5 |
| 14 (C) | 125.2 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 23.1 |
| 17 (C) | 45.8 |
| 18 (CH) | 36.4 |
| 19 (CH2) | 41.6 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 20.9 |
| 26 (CH2) | 112.2 |
| 27 (CH3) | 19 |
| 28 (C) | 178.2 |
| 29 (CH3) | 33 |
| 30 (CH3) | 24.4 |
| 3a (C) | 171 |
| 3b (CH3) | 21.4 |
| 28a (CH3) | 51.8 |
