Spektraris NMR
Cyclocanthoside F
Common Name: Cyclocanthoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H78O19/c1-41(2)27(64-40-35(28(53)21(51)18-60-40)65-39-34(59)32(57)30(55)24(17-49)63-39)9-11-47-19-46(47)13-12-43(5)36(45(7)10-8-26(52)42(3,4)66-45)20(50)15-44(43,6)25(46)14-22(37(41)47)61-38-33(58)31(56)29(54)23(16-48)62-38/h20-40,48-59H,8-19H2,1-7H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40-,43+,44-,45+,46-,47+/m0/s1
InChIKey: InChIKey=KFIUFCHEWZTLRP-SXCMWBRFSA-N
Formula: C47H78O19
Molecular Weight: 947.11266
Exact Mass: 946.51373
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) | 32.26 |
| 2 (CH2) | 30.12 |
| 3 (CH) | 88.52 |
| 4 (C) | 42.65 |
| 5 (CH) | 52.54 |
| 6 (CH) | 79.33 |
| 7 (CH2) | 34.56 |
| 8 (CH) | 45.72 |
| 9 (C) | 21.2 |
| 10 (C) | 29.01 |
| 11 (CH2) | 26.38 |
| 12 (CH2) | 34.24 |
| 13 (C) | 45.99 |
| 14 (C) | 46.86 |
| 15 (CH2) | 47.32 |
| 16 (CH) | 74 |
| 17 (CH) | 60.86 |
| 18 (CH3) | 20.75 |
| 19 (CH2) | 29.01 |
| 20 (C) | 78.97 |
| 21 (CH3) | 28.88 |
| 22 (CH2) | 26.74 |
| 23 (CH2) | 24.11 |
| 24 (CH) | 68.84 |
| 25 (C) | 75.25 |
| 26 (CH3) | 28.63 |
| 27 (CH3) | 28.02 |
| 28 (CH3) | 28.56 |
| 29 (CH3) | 20.07 |
| 30 (CH3) | 16.58 |
| 1' (CH) | 105.42 |
| 2' (CH) | 83.87 |
| 3' (CH) | 77.72 |
| 4' (CH) | 70.93 |
| 5' (CH2) | 66.55 |
| 1'' (CH) | 106.24 |
| 2'' (CH) | 76.94 |
| 3'' (CH) | 77.98 |
| 4'' (CH) | 72 |
| 5'' (CH) | 78.14 |
| 6'' (CH2) | 63.03 |
| 1''' (CH) | 105.02 |
| 2''' (CH) | 75.66 |
| 3''' (CH) | 78.97 |
| 4''' (CH) | 71.95 |
| 5''' (CH) | 77.98 |
| 6''' (CH2) | 63.19 |
