Spektraris NMR
Oleifolioside A
Common Name: Oleifolioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H76O17/c1-20(8-9-27(50)41(4,5)56)29-21(46)15-43(7)26-14-25(60-37-33(54)30(51)22(47)16-57-37)36-40(2,3)28(10-11-45(36)19-44(26,45)13-12-42(29,43)6)61-39-35(32(53)24(49)18-59-39)62-38-34(55)31(52)23(48)17-58-38/h20-39,46-56H,8-19H2,1-7H3/t20-,21+,22-,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,42-,43+,44+,45-/m1/s1
InChIKey: InChIKey=WUQOCGARTQFYMS-PAGZOCNGSA-N
Formula: C45H76O17
Molecular Weight: 889.076496
Exact Mass: 888.508251
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ozipek, M., Donmez, A.A., Calis, I., Brun, R., Ruedi, P., Tasdemir, D. Phytochemistry (2005) 66, 1168-73
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.8 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 87.7 |
| 4 (C) | 42.7 |
| 5 (CH) | 51.9 |
| 6 (CH) | 77.2 |
| 7 (CH2) | 33 |
| 8 (CH) | 43.2 |
| 9 (C) | 21.5 |
| 10 (C) | 27.9 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.9 |
| 14 (C) | 46.8 |
| 15 (CH2) | 47.2 |
| 16 (CH) | 72 |
| 17 (CH) | 56.9 |
| 18 (CH3) | 17.5 |
| 19 (CH2) | 25 |
| 20 (CH) | 28.7 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 32.8 |
| 23 (CH2) | 27.8 |
| 24 (CH) | 77.1 |
| 25 (C) | 72.5 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 19.5 |
| 1' (CH) | 105.3 |
| 2' (CH) | 83.6 |
| 3' (CH) | 77.5 |
| 4' (CH) | 71 |
| 5' (CH2) | 66 |
| 1'' (CH) | 106.8 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 69.1 |
| 5'' (CH2) | 67.1 |
| 1''' (CH) | 105.8 |
| 2''' (CH) | 75.5 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 71.1 |
| 5''' (CH2) | 66.9 |
