Spektraris NMR
Cephalotoside A
Common Name: Cephalotoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H78O18/c1-20(8-9-28(42(4,5)58)64-39-35(56)31(52)23(50)18-60-39)29-24(61-40-36(57)33(54)32(53)25(16-47)62-40)15-44(7)26-14-21(48)37-41(2,3)27(63-38-34(55)30(51)22(49)17-59-38)10-11-46(37)19-45(26,46)13-12-43(29,44)6/h20-40,47-58H,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-/m1/s1
InChIKey: InChIKey=GBAVXHKSFSIIEK-CJPWDDQKSA-N
Formula: C46H78O18
Molecular Weight: 919.102519
Exact Mass: 918.518816
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) | 32.62 |
| 2 (CH2) | 30.43 |
| 3 (CH) | 88.82 |
| 4 (C) | 42.76 |
| 5 (CH) | 54.08 |
| 6 (CH) | 67.98 |
| 7 (CH2) | 38.51 |
| 8 (CH) | 47.01 |
| 9 (C) | 21.26 |
| 10 (C) | 29.3 |
| 11 (CH2) | 26.26 |
| 12 (CH2) | 32.76 |
| 13 (C) | 45.67 |
| 14 (C) | 46.83 |
| 15 (CH2) | 48.18 |
| 16 (CH) | 82.75 |
| 17 (CH) | 57.4 |
| 18 (CH3) | 19.15 |
| 19 (CH2) | 30.55 |
| 20 (CH) | 31.32 |
| 21 (CH3) | 17.83 |
| 22 (CH2) | 34.43 |
| 23 (CH2) | 30 |
| 24 (CH) | 90.67 |
| 25 (C) | 72.26 |
| 26 (CH3) | 25.83 |
| 27 (CH3) | 26.85 |
| 28 (CH3) | 28.99 |
| 29 (CH3) | 20.34 |
| 30 (CH3) | 16.78 |
| 1' (CH) | 107.68 |
| 2' (CH) | 75.68 |
| 3' (CH) | 78.58 |
| 4' (CH) | 71.29 |
| 5' (CH2) | 67.1 |
| 1'' (CH) | 106.23 |
| 2'' (CH) | 75.81 |
| 3'' (CH) | 78.62 |
| 4'' (CH) | 71.82 |
| 5'' (CH) | 77.95 |
| 6'' (CH2) | 62.97 |
| 1''' (CH) | 106.97 |
| 2''' (CH) | 75.36 |
| 3''' (CH) | 78.5 |
| 4''' (CH) | 71.03 |
| 5''' (CH2) | 67.25 |
