Spektraris NMR
Isodiphyllin
Common Name: Isodiphyllin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O7/c1-24-14-4-3-10(5-15(14)25-2)18-11-6-16-17(28-9-27-16)7-12(11)20(22)13-8-26-21(23)19(13)18/h3-7,22H,8-9H2,1-2H3
InChIKey: InChIKey=ZYUVOQCJYNAWNV-UHFFFAOYSA-N
Formula: C21H16O7
Molecular Weight: 380.34834
Exact Mass: 380.089603
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Yang, M., Wu, J., Cheng, F., Zhou, Y. Magn Reson Chem (2006) 44, 727-30
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) | 131.3 |
| 2 (C) | 124.8 |
| 3 (CH) | 102.7 |
| 4 (C) | 148.9 |
| 5 (C) | 148.5 |
| 6 (CH) | 98.2 |
| 7 (C) | 145.2 |
| 8 (C) | 122.5 |
| 9 (CH2) | 66.7 |
| 1' (C) | 127.7 |
| 2' (CH) | 114.4 |
| 3' (C) | 148.4 |
| 4' (C) | 148.2 |
| 5' (CH) | 111.4 |
| 6' (CH) | 122.8 |
| 7' (C) | 130.7 |
| 8' (C) | 119.2 |
| 9' (C) | 169.8 |
| 4a (CH2) | 102.1 |
| 3'a (CH3) | 55.6 |
| 4'a (CH3) | 55.7 |
Copyright © 2025
The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.