Spektraris NMR
Trojanoside B
Common Name: Trojanoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H76O18/c1-40(2)26(62-38-33(56)29(52)22(50)18-59-38)9-11-46-19-45(46)13-12-42(5)35(44(7)10-8-27(63-44)41(3,4)64-39-34(57)31(54)30(53)24(16-47)61-39)20(48)15-43(42,6)25(45)14-23(36(40)46)60-37-32(55)28(51)21(49)17-58-37/h20-39,47-57H,8-19H2,1-7H3/t20-,21+,22+,23-,24+,25-,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,42+,43-,44+,45-,46+/m0/s1
InChIKey: InChIKey=IQJVQHCRVYIUMO-NFEXMYBCSA-N
Formula: C46H76O18
Molecular Weight: 917.086637
Exact Mass: 916.503166
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) | 30.1 |
| 3 (CH) | 90 |
| 4 (C) | 42.6 |
| 5 (CH) | 52.8 |
| 6 (CH) | 79.1 |
| 7 (CH2) | 35 |
| 8 (CH) | 45.4 |
| 9 (C) | 21.9 |
| 10 (C) | 29.5 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 33.6 |
| 13 (C) | 46.1 |
| 14 (C) | 46.9 |
| 15 (CH2) | 45.5 |
| 16 (CH) | 74.5 |
| 17 (CH) | 58.5 |
| 18 (CH3) | 20.9 |
| 19 (CH2) | 28.5 |
| 20 (C) | 87 |
| 21 (CH3) | 27.5 |
| 22 (CH2) | 35.1 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 82.8 |
| 25 (C) | 79.9 |
| 26 (CH3) | 22.7 |
| 27 (CH3) | 25 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 16.3 |
| 1' (CH) | 105.2 |
| 2' (CH) | 75 |
| 3' (CH) | 77.6 |
| 4' (CH) | 70.8 |
| 5' (CH2) | 66.1 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 75 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 70.8 |
| 5'' (CH2) | 66.1 |
| 1''' (CH) | 98.4 |
| 2''' (CH) | 75 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.1 |
| 5''' (CH) | 77.5 |
| 6''' (CH2) | 62.5 |
