Spektraris NMR
Trojanoside K
Common Name: Trojanoside K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H78O19/c1-41(2)26(65-38-33(56)28(51)20(50)18-60-38)9-11-47-19-46(47)13-12-43(5)37(45(7)10-8-27(66-45)42(3,4)59)22(62-40-35(58)32(55)30(53)24(17-49)64-40)15-44(43,6)25(46)14-21(36(41)47)61-39-34(57)31(54)29(52)23(16-48)63-39/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-/m1/s1
InChIKey: InChIKey=QTEHQCHWMXVZLP-CKJVKWNBSA-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) | 32.4 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 88.8 |
| 4 (C) | 42.8 |
| 5 (CH) | 52.7 |
| 6 (CH) | 80.1 |
| 7 (CH2) | 35.1 |
| 8 (CH) | 46.1 |
| 9 (C) | 20.3 |
| 10 (C) | 29.4 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 33.2 |
| 13 (C) | 46.9 |
| 14 (C) | 46.9 |
| 15 (CH2) | 47.4 |
| 16 (CH) | 83.7 |
| 17 (CH) | 59.9 |
| 18 (CH3) | 21.3 |
| 19 (CH2) | 29.6 |
| 20 (C) | 87.2 |
| 21 (CH3) | 26.4 |
| 22 (CH2) | 38.8 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 84.5 |
| 25 (C) | 72 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 107.8 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.4 |
| 5' (CH2) | 67.2 |
| 1'' (CH) | 105.7 |
| 2'' (CH) | 75.7 |
| 3'' (CH) | 79.4 |
| 4'' (CH) | 72.2 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 106.6 |
| 2''' (CH) | 75.7 |
| 3''' (CH) | 79 |
| 4''' (CH) | 72 |
| 5''' (CH) | 78.5 |
| 6''' (CH2) | 63.4 |
