Spektraris NMR
Sapinmusaponin E
Common Name: Sapinmusaponin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H74O13/c1-22-30(46)32(48)34(50)36(53-22)56-35-33(49)31(47)25(21-44)54-37(35)55-29-15-18-40(6)26-13-12-23-24(42(8,51)17-11-16-38(2,3)52-10)14-19-41(23,7)43(26,9)28(45)20-27(40)39(29,4)5/h11,16,22-37,44-51H,12-15,17-21H2,1-10H3/b16-11+/t22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,40+,41+,42+,43-/m0/s1
InChIKey: InChIKey=NINZYYYNNDXPFU-HSYDKDJRSA-N
Formula: C43H74O13
Molecular Weight: 799.041523
Exact Mass: 798.512942
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Huang, H.C., Yang Kuo, L.M., Hsu, Y.W., Lee, K.H., Chang, F.R., Wu, Y.C. J Agric Food Chem (2005) 53, 4722-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 40.39 |
| 2 (CH2) | 27.45 |
| 3 (CH) | 90 |
| 4 (C) | 40.26 |
| 5 (CH) | 55.45 |
| 6 (CH2) | 29.11 |
| 7 (CH) | 75.89 |
| 8 (C) | 47.33 |
| 9 (CH) | 51.84 |
| 10 (C) | 37.87 |
| 11 (CH2) | 22.63 |
| 12 (CH2) | 26.31 |
| 13 (CH) | 44.28 |
| 14 (C) | 50.97 |
| 15 (CH2) | 35.57 |
| 16 (CH2) | 28.77 |
| 17 (CH) | 50.03 |
| 18 (CH3) | 10.43 |
| 19 (CH3) | 16.91 |
| 20 (C) | 76.09 |
| 21 (CH3) | 26.02 |
| 22 (CH2) | 45.29 |
| 23 (CH) | 128.12 |
| 24 (CH) | 138.73 |
| 25 (C) | 76.54 |
| 26 (CH3) | 26.31 |
| 27 (CH3) | 26.41 |
| 28 (CH3) | 28.36 |
| 29 (CH3) | 17.07 |
| 30 (CH3) | 16.65 |
| 1' (CH) | 105.58 |
| 2' (CH) | 78.93 |
| 3' (CH) | 79.51 |
| 4' (CH) | 72.04 |
| 5' (CH) | 77.61 |
| 6' (CH2) | 62.78 |
| 1'' (CH) | 101.84 |
| 2'' (CH) | 72.13 |
| 3'' (CH) | 72.08 |
| 4'' (CH) | 73.96 |
| 5'' (CH) | 69.96 |
| 6'' (CH3) | 17.97 |
| 25a (CH3) | 50.03 |
