Spektraris NMR
Randiasaponin V
Common Name: Randiasaponin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O17/c1-21-29(50)32(53)34(55)38(60-21)63-36-30(51)23(49)20-59-40(36)62-27-12-13-44(6)25(43(27,4)5)11-14-46(8)26(44)10-9-22-28-37(57)42(2,3)15-17-47(28,18-16-45(22,46)7)41(58)64-39-35(56)33(54)31(52)24(19-48)61-39/h9,21,23-40,48-57H,10-20H2,1-8H3/t21-,23+,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=UJSPEUFZQCLQRS-XVALNIRTSA-N
Formula: C47H76O17
Molecular Weight: 913.097968
Exact Mass: 912.508251
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sahpaz, S., Gupta, M.P., Hostettmann, K. Phytochemistry (2000) 54, 77-84
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) | 39.77 |
| 2 (CH2) | 6.99 |
| 3 (CH) | 90.71 |
| 4 (C) | 40.26 |
| 5 (CH) | 57.03 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 33.87 |
| 8 (C) | 40.89 |
| 9 (CH) | 48.49 |
| 10 (C) | 37.87 |
| 11 (CH2) | 24.72 |
| 12 (CH) | 124.96 |
| 13 (C) | 144.29 |
| 14 (C) | 42.61 |
| 15 (CH2) | 29.45 |
| 16 (CH2) | 28.45 |
| 17 (C) | 47.12 |
| 18 (CH) | 45.06 |
| 19 (CH) | 82.45 |
| 20 (C) | 35.95 |
| 21 (CH2) | 29.67 |
| 22 (CH2) | 33.27 |
| 23 (CH3) | 28.61 |
| 24 (CH3) | 17.01 |
| 25 (CH3) | 15.94 |
| 26 (CH3) | 17.61 |
| 27 (CH3) | 25.01 |
| 28 (C) | 178.54 |
| 29 (CH3) | 28.67 |
| 30 (CH3) | 25.19 |
| 1' (CH) | 104.74 |
| 2' (CH) | 76.81 |
| 3' (CH) | 72.99 |
| 4' (CH) | 68.32 |
| 5' (CH2) | 63.64 |
| 1'' (CH) | 102.01 |
| 2'' (CH) | 72.15 |
| 3'' (CH) | 72.15 |
| 4'' (CH) | 73.87 |
| 5'' (CH) | 70.21 |
| 6'' (CH3) | 17.99 |
| 1''' (CH) | 95.76 |
| 2''' (CH) | 73.86 |
| 3''' (CH) | 78.54 |
| 4''' (CH) | 71.07 |
| 5''' (CH) | 78.28 |
| 6''' (CH2) | 62.38 |
