Spektraris NMR
ursolic acid
Common Name: ursolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=WCGUUGGRBIKTOS-GPOJBZKASA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Taketa, A.T.C., Breitmaier, E., Schenkel, E.P. J Braz Chem Soc (2004) 15, 205-11
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 (CH2) | 39.2 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.3 |
| 4 (C) | 39.5 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.2 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 125.8 |
| 13 (C) | 139.4 |
| 14 (C) | 42.7 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 25.1 |
| 17 (C) | 48.2 |
| 18 (CH) | 53.7 |
| 19 (CH) | 39.6 |
| 20 (CH) | 39.6 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 29 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 24.1 |
| 28 (C) | 180.1 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 21.6 |
