Spektraris NMR
21b-Hydroxyursolic acid
Common Name: 21b-Hydroxyursolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O4/c1-18-19(2)25-20-9-10-23-28(5)13-12-24(33)27(3,4)22(28)11-14-30(23,7)29(20,6)15-16-31(25,17-21(18)32)26(34)35-8/h9,18-19,21-25,32-33H,10-17H2,1-8H3/t18-,19-,21-,22-,23+,24-,25-,28-,29+,30+,31+/m0/s1
InChIKey: InChIKey=RLPWSZRBGLFXMI-JLUVPQLHSA-N
Formula: C31H50O4
Molecular Weight: 486.72747
Exact Mass: 486.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shimizu S., Ishihara N., Umehara K., Miyase T., Ueno A. Chem Pharm Bull (1988) 36, 2466
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) | 38.6 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.4 |
| 9 (CH) | 47.5 |
| 10 (C) | 37 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 126.2 |
| 13 (C) | 137.7 |
| 14 (C) | 41.9 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 25.2 |
| 17 (C) | 48.8 |
| 18 (CH) | 52.3 |
| 19 (CH) | 37.9 |
| 20 (CH) | 46.6 |
| 21 (CH) | 71.1 |
| 22 (CH2) | 44.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 23.5 |
| 28 (C) | 176.5 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 15.6 |
| 28a (CH3) | 51.5 |
