Spektraris NMR
Kadsurindutin A
Common Name: Kadsurindutin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O11/c1-8-13(2)28(31)40-27-17-10-19-24(38-12-36-19)26(34-7)21(17)20-16(9-18-23(25(20)33-6)37-11-35-18)22(39-15(4)30)14(3)29(27,5)32/h8-10,14,22,27,32H,11-12H2,1-7H3/b13-8-/t14-,22+,27-,29-/m0/s1
InChIKey: InChIKey=VJNWJRQEPSIDQB-GLBHBZOMSA-N
Formula: C29H32O11
Molecular Weight: 556.558899
Exact Mass: 556.194462
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) | 133 |
| 2 (C) | 119.6 |
| 3 (C) | 140.7 |
| 4 (C) | 135 |
| 5 (C) | 148.8 |
| 6 (CH) | 101.8 |
| 7 (CH) | 83.6 |
| 8 (CH) | 42.9 |
| 9 (CH3) | 17.1 |
| 1' (C) | 128.9 |
| 2' (C) | 121.1 |
| 3' (C) | 140.6 |
| 4' (C) | 135.1 |
| 5' (C) | 147.7 |
| 6' (CH) | 106.2 |
| 7' (CH) | 84.8 |
| 8' (C) | 74 |
| 9' (CH3) | 28.9 |
| 3a (CH3) | 59 |
| 4a (CH2) | 100.9 |
| 7a (C) | 168.8 |
| 7b (CH3) | 20.1 |
| 3'a (CH3) | 59 |
| 4'a (CH2) | 101.1 |
| 7'a (C) | 165.7 |
| 7'b (C) | 127 |
| 7'c (CH) | 139.7 |
| 7'd (CH3) | 15.7 |
| 7'e (CH3) | 19.9 |
