Spektraris NMR
Cyclocephaloside II
Common Name: Cyclocephaloside II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O15/c1-20(45)54-24-18-53-35(31(50)29(24)48)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-22(34(43)37(26,2)3)55-36-32(51)30(49)28(47)23(17-44)56-36/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22-,23+,24+,25-,26-,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,39+,40-,41+,42-,43+/m0/s1
InChIKey: InChIKey=XXPFEGKNCCUFCX-ZLNZEJDESA-N
Formula: C43H70O15
Molecular Weight: 827.00857
Exact Mass: 826.471472
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) | 32.7 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 89.8 |
| 4 (C) | 42.8 |
| 5 (CH) | 53.7 |
| 6 (CH) | 79.8 |
| 7 (CH2) | 35 |
| 8 (CH) | 46.7 |
| 9 (C) | 22 |
| 10 (C) | 30 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 33.8 |
| 13 (C) | 46.3 |
| 14 (C) | 47 |
| 15 (CH2) | 46 |
| 16 (CH) | 74.4 |
| 17 (CH) | 58.6 |
| 18 (CH3) | 21.1 |
| 19 (CH2) | 29.3 |
| 20 (C) | 88.1 |
| 21 (CH3) | 29 |
| 22 (CH2) | 35.4 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 82.5 |
| 25 (C) | 72.9 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 27.4 |
| 28 (CH3) | 29 |
| 29 (CH3) | 20 |
| 30 (CH3) | 16.2 |
| 1' (CH) | 107 |
| 2' (CH) | 75.1 |
| 3' (CH) | 74.7 |
| 4' (CH) | 73 |
| 5' (CH2) | 63.1 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.7 |
| 4'a (C) | 171.9 |
| 4'b (CH3) | 20.6 |
