Spektraris NMR
Cyclocanthoside E
Common Name: Cyclocanthoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,38-,39+,40+,41-/m1/s1
InChIKey: InChIKey=AOIXFGYGQDSQIU-QYYDMLKXSA-N
Formula: C41H70O14
Molecular Weight: 786.987694
Exact Mass: 786.476557
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) | 32.27 |
| 2 (CH2) | 28.77 |
| 3 (CH) | 88.59 |
| 4 (C) | 42.68 |
| 5 (CH) | 52.52 |
| 6 (CH) | 79.13 |
| 7 (CH2) | 34.32 |
| 8 (CH) | 45.61 |
| 9 (C) | 21.45 |
| 10 (C) | 30.2 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.21 |
| 13 (C) | 45.82 |
| 14 (C) | 46.94 |
| 15 (CH2) | 47.88 |
| 16 (CH) | 72.02 |
| 17 (CH) | 57.2 |
| 18 (CH3) | 18.37 |
| 19 (CH2) | 28.21 |
| 20 (CH) | 28.57 |
| 21 (CH3) | 18.48 |
| 22 (CH2) | 33 |
| 23 (CH2) | 27.9 |
| 24 (CH) | 77.14 |
| 25 (C) | 72.58 |
| 26 (CH3) | 25.77 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28.65 |
| 29 (CH3) | 19.84 |
| 30 (CH3) | 16.71 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.61 |
| 3' (CH) | 78.48 |
| 4' (CH) | 71.25 |
| 5' (CH2) | 67.02 |
| 1'' (CH) | 105.18 |
| 2'' (CH) | 75.56 |
| 3'' (CH) | 79.13 |
| 4'' (CH) | 71.95 |
| 5'' (CH) | 78.06 |
| 6'' (CH2) | 63.2 |
