Spektraris NMR
20-epi-katonic acid
Common Name: 20-epi-katonic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=JZFSMVXQUWRSIW-XNNVWKIISA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
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) | 25.08 |
| 3 (CH) | 76.52 |
| 4 (C) | 36.96 |
| 5 (CH) | 48.85 |
| 6 (CH2) | 18.29 |
| 7 (CH2) | 31.98 |
| 8 (C) | 39.97 |
| 9 (CH) | 47.29 |
| 10 (C) | 37.34 |
| 11 (CH2) | 23.34 |
| 12 (CH) | 122.68 |
| 13 (C) | 144.36 |
| 14 (C) | 41.61 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 26.92 |
| 17 (C) | 32.91 |
| 18 (CH) | 48.21 |
| 19 (CH2) | 42.77 |
| 20 (C) | 43.98 |
| 21 (CH2) | 31.09 |
| 22 (CH2) | 38.26 |
| 23 (CH3) | 28.29 |
| 24 (CH3) | 22.27 |
| 25 (CH3) | 15.31 |
| 26 (CH3) | 16.76 |
| 27 (CH3) | 26.28 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 23.65 |
| 30 (C) | 181.7 |
