Spektraris NMR
Trojanoside H
Common Name: Trojanoside H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H76O18/c1-40(2)26(62-39-34(29(52)22(50)18-59-39)63-37-32(55)28(51)21(49)17-58-37)9-11-46-19-45(46)13-12-42(5)35(44(7)10-8-27(64-44)41(3,4)57)20(48)15-43(42,6)25(45)14-23(36(40)46)60-38-33(56)31(54)30(53)24(16-47)61-38/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=VDLLVXHQXOOBCW-OBVIKKLCSA-N
Formula: C46H76O18
Molecular Weight: 917.086637
Exact Mass: 916.503166
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bedir, E., Calis, I., Aquino, R., Piacente, S., Pizza, C. Phytochemistry (1999) 51, 1017-20
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) | 33 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 89.8 |
| 4 (C) | 42.9 |
| 5 (CH) | 53.3 |
| 6 (CH) | 80 |
| 7 (CH2) | 35 |
| 8 (CH) | 46.5 |
| 9 (C) | 22.4 |
| 10 (C) | 29.5 |
| 11 (CH2) | 27 |
| 12 (CH2) | 34.1 |
| 13 (C) | 46.3 |
| 14 (C) | 47 |
| 15 (CH2) | 46.2 |
| 16 (CH) | 74.7 |
| 17 (CH) | 59 |
| 18 (CH3) | 21.1 |
| 19 (CH2) | 29.3 |
| 20 (C) | 87 |
| 21 (CH3) | 27.8 |
| 22 (CH2) | 35.5 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 82.7 |
| 25 (C) | 72.4 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 26.6 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 20.3 |
| 1' (CH) | 105.6 |
| 2' (CH) | 83.2 |
| 3' (CH) | 76.9 |
| 4' (CH) | 71 |
| 5' (CH2) | 66 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 73.5 |
| 3'' (CH) | 74.1 |
| 4'' (CH) | 69.6 |
| 5'' (CH2) | 67.2 |
| 1''' (CH) | 105.8 |
| 2''' (CH) | 75.7 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 62.9 |
