Spektraris NMR
3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-27-oxooleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
![3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-27-oxooleana-12-ene-28-oic acid beta-D-glucopyranosyl ester](/nmr/static/nmr/svg/19370.svg)
Common Name: 3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-27-oxooleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
Synonyms: 3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-27-oxooleana-12-ene-28-oic acid beta-D-glucopyranosyl ester
CAS Registry Number:
InChI: InChI=1S/C47H74O18/c1-42(2)13-14-46(41(59)65-40-35(57)33(55)31(53)26(19-49)62-40)15-16-47(21-50)22(23(46)17-42)7-8-28-44(5)11-10-29(43(3,4)27(44)9-12-45(28,47)6)63-38-36(58)37(24(51)20-60-38)64-39-34(56)32(54)30(52)25(18-48)61-39/h7,21,23-40,48-49,51-58H,8-20H2,1-6H3/t23-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46-,47-/m0/s1
InChIKey: InChIKey=VTSJAMOKUCDRCV-KUWHGEMBSA-N
Formula: C47H74O18
Molecular Weight: 927.081492
Exact Mass: 926.487516
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kuljanabhagavad, T., Thongphasuk, P., Chamulitrat, W., Wink, M. Phytochemistry (2008) 69, 1919-26
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) | 38.49 |
| 2 (CH2) | 26.38 |
| 3 (CH) | 88.38 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.87 |
| 6 (CH2) | 18.32 |
| 7 (CH2) | 35.72 |
| 8 (C) | 41.91 |
| 9 (CH) | 49.74 |
| 10 (C) | 37.4 |
| 11 (CH2) | 24.14 |
| 12 (CH) | 123.4 |
| 13 (C) | 143.81 |
| 14 (C) | 59.14 |
| 15 (CH2) | 21.33 |
| 16 (CH2) | 23.43 |
| 17 (C) | 46.72 |
| 18 (CH) | 46.71 |
| 19 (CH2) | 42.22 |
| 20 (C) | 43.63 |
| 21 (CH2) | 30.62 |
| 22 (CH2) | 33.62 |
| 23 (CH3) | 32.01 |
| 24 (CH3) | 28.05 |
| 25 (CH3) | 16.22 |
| 26 (CH3) | 16.73 |
| 27 (CH) | 209.01 |
| 28 (C) | 176.12 |
| 29 (CH3) | 32.92 |
| 30 (CH3) | 23.92 |
| 1' (CH) | 106.61 |
| 2' (CH) | 72.1 |
| 3' (CH) | 84.32 |
| 4' (CH) | 69.34 |
| 5' (CH2) | 67.12 |
| 1'' (CH) | 106.01 |
| 2'' (CH) | 76.45 |
| 3'' (CH) | 78.21 |
| 4'' (CH) | 71.73 |
| 5'' (CH) | 78.03 |
| 6'' (CH2) | 62.71 |
| 1''' (CH) | 95.74 |
| 2''' (CH) | 74 |
| 3''' (CH) | 78.78 |
| 4''' (CH) | 71.11 |
| 5''' (CH) | 78.13 |
| 6''' (CH2) | 69.58 |
