Spektraris NMR
Kadlongirins A
Common Name: Kadlongirins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-14-21(15-11-19(28-5)22(30-7)20(12-15)29-6)32-24(31-8,23(14,2)25)16-9-10-17(26-3)18(13-16)27-4/h9-14,21,25H,1-8H3/t14-,21+,23+,24-/m0/s1
InChIKey: InChIKey=HGNZMFBTCJXSJN-ZJETXPCCSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pu, J.X., Gao, X.M., Lei, C., Xiao, W.L., Wang, R.R., Yang, L.B., Zhao, Y., Li, L.M., Huang, S.X., Zheng, Y.T., Sun, H.D. Chem Pharm Bull (2008) 56, 1143-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-Monoepoxylignans; 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) | 130.8 |
| 2 (CH) | 113.4 |
| 3 (C) | 149.9 |
| 4 (C) | 150.4 |
| 5 (CH) | 112.2 |
| 6 (CH) | 122.2 |
| 7 (C) | 113.7 |
| 8 (C) | 83.5 |
| 9 (CH3) | 19.4 |
| 1' (C) | 138.6 |
| 2' (CH) | 105.7 |
| 3' (C) | 154.5 |
| 4' (C) | 139.2 |
| 5' (C) | 154.5 |
| 6' (CH) | 105.7 |
| 7' (CH) | 89 |
| 8' (CH) | 50.4 |
| 9' (CH3) | 8.9 |
| 3a (CH3) | 56.4 |
| 4a (CH3) | 56.4 |
| 7a (CH3) | 50.6 |
| 3'a (CH3) | 56.6 |
| 4'a (CH3) | 61.1 |
| 5'a (CH3) | 56.6 |
