Spektraris NMR
Cyclogalaginoside E
Common Name: Cyclogalaginoside E
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-JAMYVUMISA-N
Formula: C41H68O14
Molecular Weight: 784.971812
Exact Mass: 784.460907
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gigoshvili, T.I., Alaniya, M.D., Tsitsishvili, V.G., Foure, R., Debrauver, L., Kemertelidze, E.P. Chem Nat Compd (2003) 39, 373-8
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) | 33.3 |
| 2 (CH2) | 30.58 |
| 3 (CH) | 89.91 |
| 4 (C) | 43.15 |
| 5 (CH) | 54.66 |
| 6 (CH) | 69.6 |
| 7 (CH2) | 38.85 |
| 8 (CH) | 48.5 |
| 9 (C) | 21.91 |
| 10 (C) | 30.58 |
| 11 (CH2) | 27.17 |
| 12 (CH2) | 34.26 |
| 13 (C) | 47.85 |
| 14 (C) | 47.47 |
| 15 (CH2) | 49.23 |
| 16 (CH) | 74.42 |
| 17 (CH) | 56.31 |
| 18 (CH3) | 21.4 |
| 19 (CH2) | 32.18 |
| 20 (C) | 88.93 |
| 21 (CH3) | 24.84 |
| 22 (CH2) | 38 |
| 23 (CH2) | 24.27 |
| 24 (CH) | 86.38 |
| 25 (C) | 78.93 |
| 26 (CH3) | 25.01 |
| 27 (CH3) | 23.51 |
| 28 (CH3) | 28.73 |
| 29 (CH3) | 20.9 |
| 30 (CH3) | 16.55 |
| 1' (CH) | 107.48 |
| 2' (CH) | 75.5 |
| 3' (CH) | 77.95 |
| 4' (CH) | 71.29 |
| 5' (CH2) | 66.7 |
| 1'' (CH) | 99.04 |
| 2'' (CH) | 75.04 |
| 3'' (CH) | 77.63 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 77.63 |
| 6'' (CH2) | 62.84 |
