Spektraris NMR
20-epi-katonic acid methyl esther
Common Name: 20-epi-katonic acid methyl esther
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24+,27+,28-,29-,30+,31+/m0/s1
InChIKey: InChIKey=APODVSVTRILENH-RCFBLKMQSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, M.I., Julián, A., Delgado, G. Magn Reson Chem (2003) 41, 143-4
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) | 32.53 |
| 2 (CH2) | 25.22 |
| 3 (CH) | 76.17 |
| 4 (C) | 37.02 |
| 5 (CH) | 48.95 |
| 6 (CH2) | 18.29 |
| 7 (CH2) | 31.92 |
| 8 (C) | 39.95 |
| 9 (CH) | 47.42 |
| 10 (C) | 37.35 |
| 11 (CH2) | 23.38 |
| 12 (CH) | 122.66 |
| 13 (C) | 144.39 |
| 14 (C) | 41.61 |
| 15 (CH2) | 26.09 |
| 16 (CH2) | 26.97 |
| 17 (C) | 33.04 |
| 18 (CH) | 48.21 |
| 19 (CH2) | 42.88 |
| 20 (C) | 44.29 |
| 21 (CH2) | 31.31 |
| 22 (CH2) | 38.42 |
| 23 (CH3) | 28.25 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 15.25 |
| 26 (CH3) | 16.77 |
| 27 (CH3) | 26.09 |
| 28 (CH3) | 28.18 |
| 29 (CH3) | 28.53 |
| 30 (C) | 177.74 |
| 30a (CH3) | 51.49 |
