Spektraris NMR
Justicioside F
Common Name: Justicioside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-21-22-14-30(52)45(4,5)23(22)8-9-47(7)31(21)26(51)15-24-25-16-44(2,3)10-12-48(25,13-11-46(24,47)6)20-62-41-38(59)36(57)34(55)29(65-41)19-61-43-40(37(58)33(54)28(18-50)64-43)66-42-39(60)35(56)32(53)27(17-49)63-42/h15,22-23,25-43,49-60H,1,8-14,16-20H2,2-7H3/t22-,23-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,46-,47-,48-/m1/s1
InChIKey: InChIKey=YCEMGEUPUKTDGD-JFNKOFNOSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Noiarsa, P., Kasai, R., Otsuka, H., Ruchirawat, S. Tetrahedron (2005) 61, 2583-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Miscellanea; 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 (CH) | 45.7 |
| 2 (CH2) | 36.2 |
| 3 (CH) | 79.6 |
| 4 (C) | 44.1 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 35.5 |
| 8 (C) | 42.3 |
| 9 (CH) | 57.1 |
| 10 (C) | 148.8 |
| 11 (CH) | 68 |
| 12 (CH) | 127.9 |
| 13 (C) | 145.4 |
| 14 (C) | 43.2 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 22.5 |
| 17 (C) | 37 |
| 18 (CH) | 43.2 |
| 19 (CH2) | 46.1 |
| 20 (C) | 31 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 31.9 |
| 23 (CH3) | 27.4 |
| 24 (CH3) | 16 |
| 25 (CH2) | 110.2 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 25.9 |
| 28 (CH2) | 76.7 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 103.5 |
| 2' (CH) | 83.1 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 103.2 |
| 2'' (CH) | 85.5 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 70.6 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 62.4 |
| 1''' (CH) | 106.2 |
| 2''' (CH) | 76.3 |
| 3''' (CH) | 78.3 |
| 4''' (CH) | 71.3 |
| 5''' (CH) | 78.9 |
| 6''' (CH2) | 62.7 |
