Spektraris NMR
Kadsurindutin B
Common Name: Kadsurindutin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O10/c1-7-12(2)26(29)37-25-15-9-17-22(36-11-34-17)24(32-6)19(15)18-14(20(28)13(3)27(25,4)30)8-16-21(23(18)31-5)35-10-33-16/h7-9,13,20,25,28,30H,10-11H2,1-6H3/b12-7-/t13-,20+,25-,27-/m0/s1
InChIKey: InChIKey=RCIBHAVFHXYNGB-XBKNHGISSA-N
Formula: C27H30O10
Molecular Weight: 514.522141
Exact Mass: 514.183897
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, W., Ma, X., Huang, H., Zhou, P., Chen, D. Chem Biodivers (2007) 4, 966-72
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzocyclooctadienes; 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) | 136.2 |
| 2 (C) | 119.7 |
| 3 (C) | 140.8 |
| 4 (C) | 135.1 |
| 5 (C) | 148.7 |
| 6 (CH) | 101.8 |
| 7 (CH) | 83.9 |
| 8 (CH) | 43.2 |
| 9 (CH3) | 17.7 |
| 1' (C) | 129.9 |
| 2' (C) | 119.8 |
| 3' (C) | 140.3 |
| 4' (C) | 136.1 |
| 5' (C) | 148 |
| 6' (CH) | 106.9 |
| 7' (CH) | 85.2 |
| 8' (C) | 74.3 |
| 9' (CH3) | 29.1 |
| 3a (CH3) | 59.1 |
| 4a (CH2) | 100.9 |
| 3'a (CH3) | 59.6 |
| 4'a (CH2) | 101.2 |
| 7'a (C) | 165.8 |
| 7'b (C) | 127 |
| 7'c (CH) | 139.6 |
| 7'd (CH3) | 15.7 |
| 7'e (CH3) | 19.9 |
