Spektraris NMR
3beta-Hydroxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
Common Name: 3beta-Hydroxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
Synonyms: 3beta-Hydroxy-8,14-secooleana-8(26),9(11),13-triene-28-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H48O3/c1-20-13-16-31(27(33)34-8)18-17-28(3,4)19-24(31)22(20)10-11-23-21(2)9-12-25-29(5,6)26(32)14-15-30(23,25)7/h11,24-26,32H,2,9-10,12-19H2,1,3-8H3/b23-11+/t24-,25-,26-,30+,31+/m0/s1
InChIKey: InChIKey=ROMTXBOWOOSKHF-PBVBFGOYSA-N
Formula: C31H48O3
Molecular Weight: 468.712184
Exact Mass: 468.360345
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) | 35.2 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 79.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 23 |
| 7 (CH2) | 37.3 |
| 8 (C) | 145.4 |
| 9 (C) | 151 |
| 10 (C) | 40.6 |
| 11 (CH) | 117.2 |
| 12 (CH2) | 29.9 |
| 13 (C) | 133.5 |
| 14 (C) | 125 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 23.2 |
| 17 (C) | 45.8 |
| 18 (CH) | 36 |
| 19 (CH2) | 41.5 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 20.8 |
| 26 (CH2) | 112.1 |
| 27 (CH3) | 19 |
| 28 (C) | 178.3 |
| 29 (CH3) | 33 |
| 30 (CH3) | 24.3 |
| 28a (CH3) | 51.7 |
