Spektraris NMR
Askendoside F
Common Name: Askendoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H78O18/c1-20(8-9-27(52)42(4,5)64-39-35(58)33(56)32(55)25(16-47)61-39)29-22(49)15-44(7)26-14-21(48)37-41(2,3)28(10-11-46(37)19-45(26,46)13-12-43(29,44)6)62-40-36(31(54)24(51)18-60-40)63-38-34(57)30(53)23(50)17-59-38/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=RHPCOXZZNHGTBV-GEUYFWQKSA-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) | 32.51 |
| 2 (CH2) | 29.22 |
| 3 (CH) | 88.52 |
| 4 (C) | 42.75 |
| 5 (CH) | 54.12 |
| 6 (CH) | 67.94 |
| 7 (CH2) | 38.4 |
| 8 (CH) | 46.94 |
| 9 (C) | 21.34 |
| 10 (C) | 30.35 |
| 11 (CH2) | 26.31 |
| 12 (CH2) | 33.18 |
| 13 (C) | 45.68 |
| 14 (C) | 46.84 |
| 15 (CH2) | 48.62 |
| 16 (CH) | 71.8 |
| 17 (CH) | 57.32 |
| 18 (CH3) | 18.77 |
| 19 (CH2) | 29.93 |
| 20 (CH) | 31.53 |
| 21 (CH3) | 18.93 |
| 22 (CH2) | 29.22 |
| 23 (CH2) | 34.94 |
| 24 (CH) | 78.94 |
| 25 (C) | 80.9 |
| 26 (CH3) | 21.54 |
| 27 (CH3) | 24.22 |
| 28 (CH3) | 28.63 |
| 29 (CH3) | 20.17 |
| 30 (CH3) | 16.24 |
| 1' (CH) | 105.59 |
| 2' (CH) | 83.55 |
| 3' (CH) | 77.58 |
| 4' (CH) | 70.97 |
| 5' (CH2) | 66.57 |
| 1'' (CH) | 106.61 |
| 2'' (CH) | 73.63 |
| 3'' (CH) | 74.28 |
| 4'' (CH) | 69.11 |
| 5'' (CH2) | 66.98 |
| 1''' (CH) | 98.69 |
| 2''' (CH) | 75.34 |
| 3''' (CH) | 78.73 |
| 4''' (CH) | 71.71 |
| 5''' (CH) | 78.19 |
| 6''' (CH2) | 62.8 |
