Spektraris NMR
3-O-(alpha-L-Arabinopyranosyl)-23-hydroxyursolic acid
Common Name: 3-O-(alpha-L-Arabinopyranosyl)-23-hydroxyursolic acid
Synonyms: 3-O-(alpha-L-Arabinopyranosyl)-23-hydroxyursolic acid
CAS Registry Number:
InChI: InChI=1S/C35H56O8/c1-19-9-14-35(30(40)41)16-15-33(5)21(26(35)20(19)2)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h7,19-20,22-29,36-39H,8-18H2,1-6H3,(H,40,41)/t19-,20+,22+,23-,24-,25+,26+,27+,28-,29+,31+,32+,33-,34-,35+/m1/s1
InChIKey: InChIKey=VLKSXELFNUEYKM-OHOLNXJGSA-N
Formula: C35H56O8
Molecular Weight: 604.815678
Exact Mass: 604.397519
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) | 38.8 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 81.8 |
| 4 (C) | 43.4 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.4 |
| 10 (C) | 37.4 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 125.6 |
| 13 (C) | 139.4 |
| 14 (C) | 43.4 |
| 15 (CH2) | 31 |
| 16 (CH2) | 26 |
| 17 (C) | 47.4 |
| 18 (CH) | 53.5 |
| 19 (CH) | 39.7 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 36.8 |
| 22 (CH2) | 31 |
| 23 (CH2) | 64.8 |
| 24 (CH3) | 13.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 23.8 |
| 28 (C) | 179.8 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.3 |
| 1' (CH) | 105.9 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH2) | 78.4 |
