Spektraris NMR
Askendoside G
Common Name: Askendoside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H78O18/c1-20(8-9-27(51)42(4,5)58)29-24(61-39-35(57)33(55)32(54)25(16-47)62-39)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)63-40-36(31(53)23(50)18-60-40)64-38-34(56)30(52)22(49)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=HOLYOOXYJNTQAV-BIPAVQNASA-N
Formula: C46H78O18
Molecular Weight: 919.102519
Exact Mass: 918.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Karimov, R.Z., Kachala, V.V., Ramazanov, N.S., Saatov, Z., Shashkov, A.S. Chem Nat Compd (2001) 37, 524-8
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) | 32.6 |
| 2 (CH2) | 30.35 |
| 3 (CH) | 88.6 |
| 4 (C) | 42.8 |
| 5 (CH) | 54.1 |
| 6 (CH) | 68 |
| 7 (CH2) | 38.4 |
| 8 (CH) | 46.85 |
| 9 (C) | 21.3 |
| 10 (C) | 29.3 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.65 |
| 14 (C) | 46.85 |
| 15 (CH2) | 47.8 |
| 16 (CH) | 83.1 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 30.4 |
| 20 (CH) | 32.8 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 34.45 |
| 23 (CH2) | 30.3 |
| 24 (CH) | 80 |
| 25 (C) | 72.75 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 16.35 |
| 1' (CH) | 105.7 |
| 2' (CH) | 83.6 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.05 |
| 5' (CH2) | 66.65 |
| 1'' (CH) | 106.6 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 74.35 |
| 4'' (CH) | 69.15 |
| 5'' (CH2) | 67.05 |
| 1''' (CH) | 106.6 |
| 2''' (CH) | 75.8 |
| 3''' (CH) | 78.85 |
| 4''' (CH) | 71.9 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 63 |
