Spektraris NMR
Ilexin B
Common Name: Ilexin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O10/c1-2-14(11-24)15(9-18(26)27)10-19-31-12-17-22(33-19)20(28)21(29)23(32-17)30-8-7-13-3-5-16(25)6-4-13/h2-6,11,15,17,19-23,25,28-29H,7-10,12H2,1H3,(H,26,27)/b14-2-/t15?,17-,19-,20-,21-,22-,23-/m1/s1
InChIKey: InChIKey=NBPQOQHFVOITGU-NWXPWAHVSA-N
Formula: C23H30O10
Molecular Weight: 466.479198
Exact Mass: 466.183897
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 : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 128.5 |
| 2 (CH) | 129.8 |
| 3 (CH) | 115.1 |
| 4 (C) | 155.8 |
| 5 (CH) | 115.1 |
| 6 (CH) | 129.8 |
| 7 (CH2) | 34.9 |
| 8 (CH2) | 70.3 |
| 1' (CH) | 103.4 |
| 2' (CH) | 74.4 |
| 3' (CH) | 73 |
| 4' (CH) | 80.3 |
| 5' (CH) | 65.9 |
| 6' (CH2) | 67.5 |
| 1'' (CH) | 100.4 |
| 2'' (CH2) | 36.1 |
| 3'' (CH) | 29 |
| 4'' (C) | 143.8 |
| 5'' (CH) | 153.8 |
| 6'' (CH3) | 14.8 |
| 7'' (CH2) | 38.1 |
| 8'' (C) | 172.7 |
| 9'' (CH) | 195.8 |
