Spektraris NMR
Agroastragaloside II
Common Name: Agroastragaloside II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O15/c1-20(9-10-27(47)39(5,6)53)29-22(46)16-41(8)26-15-23(56-37-34(52)32(50)30(48)24(17-44)57-37)35-38(3,4)28(11-12-43(35)19-42(26,43)14-13-40(29,41)7)58-36-33(51)31(49)25(18-54-36)55-21(2)45/h20,22-37,44,46-53H,9-19H2,1-8H3/t20-,22+,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37-,40-,41+,42+,43-/m1/s1
InChIKey: InChIKey=ONJQQJQKSBOWLH-BIGDCJGCSA-N
Formula: C43H72O15
Molecular Weight: 829.024452
Exact Mass: 828.487122
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) | 32.2 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 89.1 |
| 4 (C) | 42.4 |
| 5 (CH) | 52.6 |
| 6 (CH) | 79.3 |
| 7 (CH2) | 34.6 |
| 8 (CH) | 45.9 |
| 9 (C) | 21.6 |
| 10 (C) | 28.8 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.3 |
| 13 (C) | 45.9 |
| 14 (C) | 47 |
| 15 (CH2) | 48.1 |
| 16 (CH) | 72.1 |
| 17 (CH) | 57.3 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 28.5 |
| 20 (CH) | 28.7 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 28 |
| 24 (CH) | 77.2 |
| 25 (C) | 72.6 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 26.6 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 20 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75.8 |
| 3' (CH) | 76.4 |
| 4' (CH) | 71.5 |
| 5' (CH2) | 67.3 |
| 1'' (CH) | 105.3 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 63.3 |
| 4'a (C) | 170.2 |
| 4'b (CH3) | 21.4 |
