Spektraris NMR
Ilexin C
Common Name: Ilexin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O10/c1-5-17(14-31)19(10-27(35)38-4)11-28-39-16-30(40-28)13-20-9-26(37-3)24(34)12-21(20)29(22(30)15-32)18-6-7-23(33)25(8-18)36-2/h5-9,12,14,19,22,28-29,32-34H,10-11,13,15-16H2,1-4H3/b17-5-/t19?,22-,28+,29-,30-/m0/s1
InChIKey: InChIKey=IMJBKONVJSSZPF-FDFVGOCJSA-N
Formula: C30H36O10
Molecular Weight: 556.601993
Exact Mass: 556.230847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhou, Y.B., Wang, J.H., Li, X.M., Fu, X.C., Yan, Z., Cong, Y., Li, X. Helv Chim Acta (2008) 91, 1244-50
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 (C) | 125 |
| 2 (C) | 129.3 |
| 3 (CH) | 116.7 |
| 4 (C) | 144.7 |
| 5 (C) | 146.2 |
| 6 (CH) | 112.1 |
| 7 (CH2) | 39.5 |
| 8 (C) | 80.5 |
| 9 (CH2) | 73.7 |
| 1' (C) | 137.1 |
| 2' (CH) | 113 |
| 3' (C) | 147.5 |
| 4' (C) | 144.9 |
| 5' (CH) | 115.1 |
| 6' (CH) | 121.3 |
| 7' (CH) | 44.9 |
| 8' (CH) | 50.7 |
| 9' (CH2) | 60.1 |
| 1'' (CH) | 102.8 |
| 2'' (CH2) | 37 |
| 3'' (CH) | 29 |
| 4'' (C) | 143.5 |
| 5'' (CH) | 153.7 |
| 6'' (CH3) | 14.7 |
| 7'' (CH2) | 37 |
| 8'' (C) | 172.1 |
| 9'' (CH) | 195.6 |
| 10'' (CH3) | 51.3 |
| 5a (CH3) | 55.5 |
| 3'a (CH3) | 55.7 |
