Spektraris NMR
Diphyllin-1-O-β-D-apiofuranoside
Common Name: Diphyllin-1-O-β-D-apiofuranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)15-8-33-24(29)21(15)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3/t23-,25-,26+/m0/s1
InChIKey: InChIKey=XIARCTMJGANPJU-AYRHNUGRSA-N
Formula: C26H24O11
Molecular Weight: 512.463166
Exact Mass: 512.131862
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, G.R., Wu, J., Si, J.Y., Wang, J.M., Yang, M.H. Magn Reson Chem (2008) 46, 283-6
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) | 128.8 |
| 2 (C) | 134.8 |
| 3 (CH) | 108.4 |
| 4 (C) | 150.4 |
| 5 (C) | 151.9 |
| 6 (CH) | 101.3 |
| 7 (C) | 144.7 |
| 8 (C) | 128.9 |
| 9 (CH2) | 67.2 |
| 1' (C) | 130.1 |
| 2' (CH) | 111.4 |
| 3' (C) | 147.3 |
| 4' (C) | 147.3 |
| 5' (CH) | 106.1 |
| 6' (CH) | 124.1 |
| 7' (C) | 134.8 |
| 8' (C) | 126.9 |
| 9' (C) | 169.6 |
| 1'' (CH) | 111.3 |
| 2'' (CH) | 76.9 |
| 3'' (C) | 79 |
| 4'' (CH2) | 75 |
| 5'' (CH2) | 67.2 |
| 4a (CH3) | 56.1 |
| 5a (CH3) | 55.7 |
| 3'a (CH2) | 101.6 |
