Spektraris NMR
Trojanoside A
Common Name: Trojanoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O15/c1-20(45)54-23-16-40(7)25-15-22(55-36-32(51)30(49)29(48)24(17-44)56-36)33-37(2,3)26(57-35-31(50)28(47)21(46)18-53-35)10-12-43(33)19-42(25,43)14-13-39(40,6)34(23)41(8)11-9-27(58-41)38(4,5)52/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,39-,40+,41-,42+,43-/m1/s1
InChIKey: InChIKey=LRXKZZFZGZAUSP-XJEYLLQNSA-N
Formula: C43H70O15
Molecular Weight: 827.00857
Exact Mass: 826.471472
NMR Solvent: CD3OD
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) | 32.6 |
| 2 (CH2) | 30 |
| 3 (CH) | 89.9 |
| 4 (C) | 42.9 |
| 5 (CH) | 52.8 |
| 6 (CH) | 79.2 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 45.4 |
| 9 (C) | 22.4 |
| 10 (C) | 29.5 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 33.4 |
| 13 (C) | 45.9 |
| 14 (C) | 47.4 |
| 15 (CH2) | 45.3 |
| 16 (CH) | 77.6 |
| 17 (CH) | 58.4 |
| 18 (CH3) | 20.3 |
| 19 (CH2) | 28 |
| 20 (C) | 87 |
| 21 (CH3) | 27.8 |
| 22 (CH2) | 37.1 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 83 |
| 25 (C) | 72.4 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 16.3 |
| 1' (CH) | 107.1 |
| 2' (CH) | 75.1 |
| 3' (CH) | 77.8 |
| 4' (CH) | 70.9 |
| 5' (CH2) | 66.5 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 62.7 |
| 16a (C) | 171.2 |
| 16b (CH3) | 20.6 |
