Spektraris NMR
Trimethyl 19-Hydroxy-2,3-secours-12-ene-2,3,28-trioate
Common Name: Trimethyl 19-Hydroxy-2,3-secours-12-ene-2,3,28-trioate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-19-12-15-31(25(34)37-9)17-16-28(5)20(23(31)30(19,7)35)10-11-22-27(4,18-32)21(13-14-29(22,28)6)26(2,3)24(33)36-8/h10,18-19,21-23,35H,11-17H2,1-9H3/t19-,21+,22-,23-,27+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=RHNYWSVSEHXYFL-STOWPJDMSA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, P.L., Lin, C.J., Zhang, Z.X., Jia, Z.J. Chem Biodivers (2007) 4, 17-24
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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 (CH) | 204.8 |
| 3 (C) | 178.1 |
| 4 (C) | 46.2 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 31.9 |
| 8 (C) | 38.6 |
| 9 (CH) | 35.5 |
| 10 (C) | 53.8 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 128 |
| 13 (C) | 138.1 |
| 14 (C) | 41.7 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 25.4 |
| 17 (C) | 47.9 |
| 18 (CH) | 53.2 |
| 19 (C) | 73 |
| 20 (CH) | 41 |
| 21 (CH2) | 25.9 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 25.4 |
| 24 (CH3) | 24.1 |
| 25 (CH3) | 10.8 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 23.8 |
| 28 (C) | 178.2 |
| 29 (CH3) | 27.3 |
| 30 (CH3) | 16 |
| 3a (CH3) | 51.6 |
| 28a (CH3) | 51.7 |
