Spektraris NMR
Trojanoside I
Common Name: Trojanoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H74O17/c1-22(49)58-27-18-44(9)29-17-26(61-39-34(55)33(54)32(53)28(19-48)62-39)37-41(4,5)30(63-40-36(60-24(3)51)35(59-23(2)50)25(52)20-57-40)12-14-47(37)21-46(29,47)16-15-43(44,8)38(27)45(10)13-11-31(64-45)42(6,7)56/h25-40,48,52-56H,11-21H2,1-10H3/t25-,26+,27+,28-,29+,30+,31+,32-,33+,34-,35+,36-,37+,38+,39-,40+,43-,44+,45-,46+,47-/m1/s1
InChIKey: InChIKey=GZJSPFHGRIJXBF-VZKWXALBSA-N
Formula: C47H74O17
Molecular Weight: 911.082087
Exact Mass: 910.492601
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) | 32.3 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 89.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.6 |
| 6 (CH) | 79.1 |
| 7 (CH2) | 34 |
| 8 (CH) | 45.4 |
| 9 (C) | 22.1 |
| 10 (C) | 29.1 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 33.3 |
| 13 (C) | 46.8 |
| 14 (C) | 47.1 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 76.6 |
| 17 (CH) | 58 |
| 18 (CH3) | 20.8 |
| 19 (CH2) | 28.2 |
| 20 (C) | 86.2 |
| 21 (CH3) | 27.2 |
| 22 (CH2) | 37.3 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 83.3 |
| 25 (C) | 71.3 |
| 26 (CH3) | 28.5 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 16.9 |
| 1' (CH) | 104.5 |
| 2' (CH) | 73.6 |
| 3' (CH) | 77.3 |
| 4' (CH) | 69.3 |
| 5' (CH2) | 67.2 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 76.1 |
| 3'' (CH) | 79.7 |
| 4'' (CH) | 72.3 |
| 5'' (CH) | 78.8 |
| 6'' (CH2) | 63.5 |
| 16a (C) | 170.4 |
| 16b (CH3) | 21.2 |
| 2'a (C) | 170.8 |
| 2'b (CH3) | 21.3 |
| 3'a (C) | 171 |
| 3'b (CH3) | 21.7 |
