Spektraris NMR
3-O-(beta-D-Glucopyranosyl)-23-hydroxyursolic acid
Common Name: 3-O-(beta-D-Glucopyranosyl)-23-hydroxyursolic acid
Synonyms: 3-O-(beta-D-Glucopyranosyl)-23-hydroxyursolic acid
CAS Registry Number:
InChI: InChI=1S/C36H58O9/c1-19-9-14-36(31(42)43)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(33(4,18-38)23(32)10-13-35(24,34)6)45-30-29(41)28(40)27(39)22(17-37)44-30/h7,19-20,22-30,37-41H,8-18H2,1-6H3,(H,42,43)/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey: InChIKey=SHSTYRBKXWDVCB-CWVWMCCNSA-N
Formula: C36H58O9
Molecular Weight: 634.8417
Exact Mass: 634.408083
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tapondjou, L.A., Lontsi, D., Sondengam, B.L., Shaheen, F., Choudhary, M.I., Atta ur, R., van Heerden, F.R., Park, H.J., Lee, K.T. J Nat Prod (2003) 66, 1266-9
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) | 38.7 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 82.1 |
| 4 (C) | 42.8 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33 |
| 8 (C) | 39.8 |
| 9 (CH) | 48.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 125.3 |
| 13 (C) | 139.5 |
| 14 (C) | 43.2 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 24.6 |
| 17 (C) | 47.2 |
| 18 (CH) | 52.1 |
| 19 (CH) | 39.1 |
| 20 (CH) | 39.2 |
| 21 (CH2) | 37.4 |
| 22 (CH2) | 31 |
| 23 (CH2) | 64.5 |
| 24 (CH3) | 13.3 |
| 25 (CH3) | 15.2 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 23.6 |
| 28 (C) | 179.6 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 21 |
| 1' (CH) | 106.4 |
| 2' (CH) | 73.8 |
| 3' (CH) | 74.6 |
| 4' (CH) | 69.5 |
| 5' (CH) | 66.8 |
| 6' (CH2) | 62.9 |
