Spektraris NMR
Cyclounifolioside A
Common Name: Cyclounifolioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H66O12/c1-20(10-11-27(44)36(6,7)48)29-24(50-22(3)43)17-38(9)26-16-23(49-21(2)42)33-35(4,5)28(52-34-32(47)31(46)30(45)25(18-41)51-34)12-13-40(33)19-39(26,40)15-14-37(29,38)8/h20,23-34,41,44-48H,10-19H2,1-9H3/t20-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32-,33+,34+,37-,38+,39+,40-/m1/s1
InChIKey: InChIKey=NJIQQXHLXWPSBN-JPENAETCSA-N
Formula: C40H66O12
Molecular Weight: 738.946385
Exact Mass: 738.455428
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 (CH2) | 29.8 |
| 3 (CH) | 87.95 |
| 4 (C) | 42.1 |
| 5 (CH) | 50 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 45.3 |
| 9 (C) | 20.8 |
| 10 (C) | 28.4 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 33.25 |
| 13 (C) | 46.9 |
| 14 (C) | 45.95 |
| 15 (CH2) | 45.6 |
| 16 (CH) | 75.5 |
| 17 (CH) | 55.3 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 28.8 |
| 20 (CH) | 31.7 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 34.1 |
| 23 (CH2) | 30.1 |
| 24 (CH) | 79.3 |
| 25 (C) | 72.1 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 27 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 106.7 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.8 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.45 |
| 16a (C) | 171.1 |
| 16b (CH3) | 21.8 |
