Spektraris NMR
23-hydroxyursolic acid
Common Name: 23-hydroxyursolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=NZCULBURCGAPSF-PQWKYGPVSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 39.1 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 73.5 |
| 4 (C) | 43.1 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.2 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 125.8 |
| 13 (C) | 139.5 |
| 14 (C) | 42.7 |
| 15 (CH2) | 28.9 |
| 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 (CH2) | 68 |
| 24 (CH3) | 13.3 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 24.1 |
| 28 (C) | 180.2 |
| 29 (CH3) | 17.7 |
| 30 (CH3) | 21.6 |
