Spektraris NMR
Trojanoside D
Common Name: Trojanoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H82O20/c1-20(8-9-28(44(4,5)62)68-42-38(61)35(58)32(55)25(18-51)66-42)29-21(52)15-46(7)26-14-22(63-40-36(59)33(56)30(53)23(16-49)64-40)39-43(2,3)27(67-41-37(60)34(57)31(54)24(17-50)65-41)10-11-48(39)19-47(26,48)13-12-45(29,46)6/h20-42,49-62H,8-19H2,1-7H3/t20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41+,42+,45-,46+,47+,48-/m1/s1
InChIKey: InChIKey=AQCQLHHPRPRXRN-LJQKNRPMSA-N
Formula: C48H82O20
Molecular Weight: 979.154563
Exact Mass: 978.539945
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) | 104.8 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.4 |
| 5' (CH) | 77.5 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 105.8 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 62.2 |
| 1''' (CH) | 104.8 |
| 2''' (CH) | 75 |
| 3''' (CH) | 77.9 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 62.5 |
