Spektraris NMR
Isoastragaloside IV
Common Name: Isoastragaloside IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O14/c1-35(2)24(53-33-29(49)26(46)21(45)17-51-33)9-11-41-18-40(41)13-12-37(5)32(20(44)15-38(37,6)23(40)14-19(43)31(35)41)39(7)10-8-25(54-39)36(3,4)55-34-30(50)28(48)27(47)22(16-42)52-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20-,21+,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,37+,38-,39+,40-,41+/m0/s1
InChIKey: InChIKey=MSSYPWFHLFBMMP-BQAOMNQWSA-N
Formula: C41H68O14
Molecular Weight: 784.971812
Exact Mass: 784.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
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) | 32.4 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 88.7 |
| 4 (C) | 42.6 |
| 5 (CH) | 53.7 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 38.4 |
| 8 (CH) | 47.1 |
| 9 (C) | 20.8 |
| 10 (C) | 29.9 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.1 |
| 14 (C) | 46 |
| 15 (CH2) | 46.8 |
| 16 (CH) | 73.4 |
| 17 (CH) | 58 |
| 18 (CH3) | 21.6 |
| 19 (CH2) | 30.8 |
| 20 (C) | 87.3 |
| 21 (CH3) | 27.9 |
| 22 (CH2) | 35 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 82.1 |
| 25 (C) | 78.2 |
| 26 (CH3) | 23 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 19.9 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 107.4 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71 |
| 5' (CH2) | 66.8 |
| 1'' (CH) | 98.6 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 71.1 |
| 5'' (CH) | 77.7 |
| 6'' (CH2) | 62.4 |
