Spektraris NMR
Capsianoside XVII
Common Name: Capsianoside XVII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H74O21/c1-8-44(7,65-43-37(56)33(52)30(49)26(17-45)62-43)16-10-12-20(2)14-15-25(46)22(4)13-9-11-21(3)18-58-41-38(57)34(53)39(64-42-36(55)32(51)29(48)24(6)61-42)27(63-41)19-59-40-35(54)31(50)28(47)23(5)60-40/h8,11-12,23-43,45-57H,1,4,9-10,13-19H2,2-3,5-7H3/b20-12+,21-11-/t23-,24-,25?,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+/m0/s1
InChIKey: InChIKey=KRDYZZPHLIFPGG-KOOIZDRRSA-N
Formula: C44H74O21
Molecular Weight: 939.047499
Exact Mass: 938.472259
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, J.H., Kiyota, N., Ikeda, T., Nohara, T. Chem Pharm Bull (2008) 56, 582-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 115.8 |
| 2 (CH) | 144.5 |
| 3 (C) | 81.5 |
| 4 (CH2) | 42.7 |
| 5 (CH2) | 23.6 |
| 6 (CH) | 126 |
| 7 (C) | 135.9 |
| 8 (CH2) | 36.9 |
| 9 (CH2) | 35 |
| 10 (CH) | 75.3 |
| 11 (C) | 152.6 |
| 12 (CH2) | 32.5 |
| 13 (CH2) | 27.3 |
| 14 (CH) | 131.1 |
| 15 (C) | 132.9 |
| 16 (CH3) | 21.9 |
| 17 (CH2) | 67.9 |
| 18 (CH2) | 110.5 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 23.3 |
| 1' (CH) | 99.6 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 102.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 79.5 |
| 5'' (CH) | 75.6 |
| 6'' (CH2) | 67.1 |
| 1''' (CH) | 102.8 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 72.6 |
| 4''' (CH) | 74.1 |
| 5''' (CH) | 69.9 |
| 6''' (CH3) | 17.9 |
| 1'''' (CH) | 101.8 |
| 2'''' (CH) | 72.3 |
| 3'''' (CH) | 72.3 |
| 4'''' (CH) | 73.9 |
| 5'''' (CH) | 70.7 |
| 6'''' (CH3) | 18.2 |
