Spektraris NMR
2alpha,3beta-Diacetoxyoleana-9(11),12-diene-28-oic acid methyl ester
Common Name: 2alpha,3beta-Diacetoxyoleana-9(11),12-diene-28-oic acid methyl ester
Synonyms: 2alpha,3beta-Diacetoxyoleana-9(11),12-diene-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C35H52O6/c1-21(36)40-25-20-32(7)26(31(5,6)28(25)41-22(2)37)13-14-34(9)27(32)12-11-23-24-19-30(3,4)15-17-35(24,29(38)39-10)18-16-33(23,34)8/h11-12,24-26,28H,13-20H2,1-10H3/t24-,25+,26-,28-,32-,33+,34+,35-/m0/s1
InChIKey: InChIKey=UNDSYAYDBHVWQH-YVMAEHCPSA-N
Formula: C35H52O6
Molecular Weight: 568.785105
Exact Mass: 568.376389
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) | 42.5 |
| 2 (CH) | 70.4 |
| 3 (CH) | 80.4 |
| 4 (C) | 39.2 |
| 5 (CH) | 51 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32 |
| 8 (C) | 39.8 |
| 9 (C) | 152.8 |
| 10 (C) | 40.7 |
| 11 (CH) | 116.3 |
| 12 (CH) | 120.5 |
| 13 (C) | 145.8 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 23.7 |
| 17 (C) | 46.1 |
| 18 (CH) | 39.7 |
| 19 (CH2) | 45.8 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 17.7 |
| 25 (CH3) | 25.9 |
| 26 (CH3) | 20.3 |
| 27 (CH3) | 20.3 |
| 28 (C) | 178.3 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.7 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
| 28a (CH3) | 51.7 |
