Spektraris NMR
59076-77-6
Common Name: 59076-77-6
Synonyms: 59076-77-6
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-21(2)22-12-15-31(8)25(29(22,6)14-13-26(32)33-9)11-10-23-24-20-27(3,4)16-17-28(24,5)18-19-30(23,31)7/h10,22,24-25H,1,11-20H2,2-9H3/t22-,24-,25+,28+,29-,30+,31+/m0/s1
InChIKey: InChIKey=WGDZVWCPXNVONN-OWNPVBFQSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76
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) | 24.66 |
| 2 (CH2) | 31.53 |
| 3 (C) | 174.54 |
| 4 (C) | 147.58 |
| 5 (CH) | 38.03 |
| 6 (CH2) | 28.59 |
| 7 (CH2) | 34.18 |
| 8 (C) | 39.68 |
| 9 (CH) | 50.6 |
| 10 (C) | 39.27 |
| 11 (CH2) | 23.83 |
| 12 (CH) | 121.77 |
| 13 (C) | 145.16 |
| 14 (C) | 42.41 |
| 15 (CH2) | 26.23 |
| 16 (CH2) | 27.09 |
| 17 (C) | 32.58 |
| 18 (CH) | 47.4 |
| 19 (CH2) | 46.93 |
| 20 (C) | 31.11 |
| 21 (CH2) | 34.85 |
| 22 (CH2) | 37.23 |
| 23 (CH2) | 113.55 |
| 24 (CH3) | 23.5 |
| 25 (CH3) | 19.53 |
| 26 (CH3) | 16.97 |
| 27 (CH3) | 25.86 |
| 28 (CH3) | 28.47 |
| 29 (CH3) | 33.36 |
| 30 (CH3) | 23.73 |
| 3a (CH3) | 51.52 |
