Spektraris NMR
2'-Methoxykobusin
Common Name: 2'-Methoxykobusin
Synonyms: 2'-Methoxykobusin
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-23-16-6-4-12(8-18(16)24-2)19-14-9-27-20(15(14)10-26-19)13-5-7-17-22(21(13)25-3)29-11-28-17/h4-8,14-15,19-20H,9-11H2,1-3H3/t14-,15-,19+,20+/m0/s1
InChIKey: InChIKey=VRYSIJRIXGPIBZ-IQGAEYHTSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rojas, S., Acevedo, L., Macias, M., Toscano, R.A., Bye, R., Timmermann, B., Mata, R. J Nat Prod (2003) 66, 221-4
Species:
Notes: Family : Lignans, Type : Lignans, Group : Bisepoxylignans; 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) | 133.6 |
| 2 (CH) | 109.2 |
| 3 (C) | 149.2 |
| 4 (C) | 148.6 |
| 5 (CH) | 111 |
| 6 (CH) | 118.3 |
| 7 (CH) | 85.4 |
| 8 (CH) | 54 |
| 9 (CH2) | 71.3 |
| 1' (C) | 127.2 |
| 2' (C) | 140.6 |
| 3' (C) | 136.3 |
| 4' (C) | 148.8 |
| 5' (CH) | 102.1 |
| 6' (CH) | 118.3 |
| 7' (CH) | 82.4 |
| 8' (CH) | 54.5 |
| 9' (CH2) | 73.2 |
| 3a (CH3) | 55.9 |
| 4a (CH3) | 55.9 |
| 2'a (CH3) | 59.4 |
| 3'a (CH2) | 101 |
