Spektraris NMR
Cyclocephaloside I
Common Name: Cyclocephaloside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H68O14/c1-35(2)25(54-33-29(49)26(46)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-24(45)36(3,4)55-39)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(50)28(48)27(47)22(16-42)53-34/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=MSEFXJHDXJYSIH-YLNUDOOFSA-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) | 32.3 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 88.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.7 |
| 6 (CH) | 79.5 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 46.1 |
| 9 (C) | 21.1 |
| 10 (C) | 29.1 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 34.2 |
| 13 (C) | 45.9 |
| 14 (C) | 46.8 |
| 15 (CH2) | 47.4 |
| 16 (CH) | 74 |
| 17 (CH) | 60.8 |
| 18 (CH3) | 20.9 |
| 19 (CH2) | 29.5 |
| 20 (C) | 78.9 |
| 21 (CH3) | 28.8 |
| 22 (CH2) | 26.7 |
| 23 (CH2) | 26.3 |
| 24 (CH) | 68.7 |
| 25 (C) | 75.2 |
| 26 (CH3) | 28.6 |
| 27 (CH3) | 28 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 107.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.8 |
| 5' (CH2) | 67.1 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 79.2 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63.1 |
