Spektraris NMR
Trojanoside F
Common Name: Trojanoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C52H88O23/c1-21(8-9-30(48(4,5)67)74-45-40(66)37(63)35(61)27(17-54)72-45)31-22(55)15-50(7)28-14-25(70-44-39(65)36(62)34(60)26(16-53)71-44)42-47(2,3)29(10-11-52(42)20-51(28,52)13-12-49(31,50)6)73-46-41(33(59)24(57)19-69-46)75-43-38(64)32(58)23(56)18-68-43/h21-46,53-67H,8-20H2,1-7H3/t21-,22+,23+,24-,25+,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43+,44-,45+,46+,49-,50+,51+,52-/m1/s1
InChIKey: InChIKey=ZYRBQSIZDRAAME-VNFVUYDGSA-N
Formula: C52H88O23
Molecular Weight: 1081.243366
Exact Mass: 1080.571639
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) | 32.7 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 89.8 |
| 4 (C) | 42.7 |
| 5 (CH) | 52.9 |
| 6 (CH) | 79.9 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 46.6 |
| 9 (C) | 21.9 |
| 10 (C) | 29.8 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 33.7 |
| 13 (C) | 46.3 |
| 14 (C) | 47.1 |
| 15 (CH2) | 48.1 |
| 16 (CH) | 72.5 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 18 |
| 19 (CH2) | 28.9 |
| 20 (CH) | 30.9 |
| 21 (CH3) | 17.5 |
| 22 (CH2) | 33 |
| 23 (CH2) | 29.4 |
| 24 (CH) | 89.7 |
| 25 (C) | 73.5 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 24 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 16.2 |
| 1' (CH) | 105.6 |
| 2' (CH) | 82.8 |
| 3' (CH) | 76.6 |
| 4' (CH) | 70.6 |
| 5' (CH2) | 65.7 |
| 1'' (CH) | 106.2 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 74.7 |
| 4'' (CH) | 69.1 |
| 5'' (CH2) | 66.8 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 75.3 |
| 3''' (CH) | 78.2 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 77.4 |
| 6''' (CH2) | 62.2 |
| 1'''' (CH) | 104.7 |
| 2'''' (CH) | 75.2 |
| 3'''' (CH) | 77.6 |
| 4'''' (CH) | 71.1 |
| 5'''' (CH) | 77.7 |
| 6'''' (CH2) | 62.5 |
