Spektraris NMR
Pisumsaponin II
Common Name: Pisumsaponin II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,20-21,23-38,40-42,49,51-58H,10-19H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32?,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey: InChIKey=FZHTWPLZNXRSGR-BIXGEHQISA-N
Formula: C48H76O18
Molecular Weight: 941.108109
Exact Mass: 940.503166
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Murakami, T., Kohno, K., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2001) 49, 73-7
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) | 38.1 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 87.2 |
| 4 (C) | 53.6 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 33.2 |
| 8 (C) | 39.9 |
| 9 (CH) | 46.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 122.4 |
| 13 (C) | 144.9 |
| 14 (C) | 42.5 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 28.8 |
| 17 (C) | 38.1 |
| 18 (CH) | 45.5 |
| 19 (CH2) | 46.8 |
| 20 (C) | 30.9 |
| 21 (CH2) | 42.4 |
| 22 (CH) | 75.6 |
| 23 (CH3) | 22.3 |
| 24 (CH) | 207.2 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 25.6 |
| 28 (CH3) | 21.1 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 28.7 |
| 1' (CH) | 105 |
| 2' (CH) | 79.5 |
| 3' (CH) | 77.5 |
| 4' (CH) | 73.3 |
| 5' (CH) | 78.5 |
| 6' (C) | 172.4 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 77 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 61.8 |
| 1''' (CH) | 103 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 74.4 |
| 5''' (CH) | 69.6 |
| 6''' (CH3) | 18.9 |
