Spektraris NMR
3beta-(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Common Name: 3beta-(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Synonyms: 3beta-(2-O-beta-D-Glucopyranosyl-alpha-L-arabinopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C47H76O18/c1-42(2)13-15-47(41(59)65-39-36(58)34(56)32(54)26(19-49)62-39)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(30(52)24(51)20-60-40)64-38-35(57)33(55)31(53)25(18-48)61-38/h7,23-40,48-58H,8-21H2,1-6H3/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=KOQPPOSSMNKJPO-YWBCTTEYSA-N
Formula: C47H76O18
Molecular Weight: 929.097373
Exact Mass: 928.503166
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Abdel Khalik, S.M., Miyase, T., El-Ashaal, H.A., Melek, F.R. Phytochemistry (2000) 54, 853-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.9 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 82.3 |
| 4 (C) | 43.5 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40 |
| 9 (CH) | 48.2 |
| 10 (C) | 37 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 123 |
| 13 (C) | 144.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.5 |
| 17 (C) | 47 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 65 |
| 24 (CH3) | 13.4 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26 |
| 28 (C) | 176.4 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 103.9 |
| 2' (CH) | 81.4 |
| 3' (CH) | 73.7 |
| 4' (CH) | 68.3 |
| 5' (CH2) | 65 |
| 1'' (CH) | 106 |
| 2'' (CH) | 76.2 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.6 |
| 1''' (CH) | 95.8 |
| 2''' (CH) | 74.2 |
| 3''' (CH) | 78.9 |
| 4''' (CH) | 71.3 |
| 5''' (CH) | 79.3 |
| 6''' (CH2) | 62.4 |
