Spektraris NMR
Rivaloside C
Common Name: Rivaloside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H70O16/c1-20(46)57-22-17-41(6)25(40(4,5)34(22)53)11-12-43(8)26(41)10-9-21-27-35(54)39(2,3)13-15-44(27,16-14-42(21,43)7)38(55)60-37-33(52)31(50)29(48)24(59-37)19-56-36-32(51)30(49)28(47)23(18-45)58-36/h9,22-37,45,47-54H,10-19H2,1-8H3/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,41+,42-,43-,44+/m1/s1
InChIKey: InChIKey=WAPDVZLSHHOCJF-IUGSFLQOSA-N
Formula: C44H70O16
Molecular Weight: 855.018711
Exact Mass: 854.466386
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - de Rosa, S., Iodice, C., Mitova, M., Handjieva, N., Popov, S., Anchev, M. Phytochemistry (2000) 54, 751-6
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) | 38.6 |
| 2 (CH) | 71.9 |
| 3 (CH) | 76.3 |
| 4 (C) | 39.6 |
| 5 (CH) | 49 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.6 |
| 9 (CH) | 48.4 |
| 10 (C) | 39.2 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 123.2 |
| 13 (C) | 144.7 |
| 14 (C) | 42.3 |
| 15 (CH2) | 29 |
| 16 (CH2) | 28.8 |
| 17 (C) | 46.6 |
| 18 (CH) | 44.6 |
| 19 (CH) | 81.2 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 33.2 |
| 23 (CH3) | 29.5 |
| 24 (CH3) | 22.4 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 25 |
| 28 (C) | 177.5 |
| 29 (CH3) | 28.3 |
| 30 (CH3) | 24.8 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 69.5 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.8 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21.5 |
