Spektraris NMR
2'-Methoxy-4''-hydroxydemethoxykobusin
Common Name: 2'-Methoxy-4''-hydroxydemethoxykobusin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-23-17-7-11(3-5-15(17)22)18-13-8-26-19(14(13)9-25-18)12-4-6-16-21(20(12)24-2)28-10-27-16/h3-7,13-14,18-19,22H,8-10H2,1-2H3/t13-,14-,18+,19+/m0/s1
InChIKey: InChIKey=ZQLNHQLSVAXYHY-YXUGBTPSSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
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 |
| 2 (CH) | 108.6 |
| 3 (C) | 146.6 |
| 4 (C) | 145.2 |
| 5 (CH) | 114.2 |
| 6 (CH) | 118.3 |
| 7 (CH) | 85.5 |
| 8 (CH) | 54 |
| 9 (CH2) | 71.2 |
| 1' (C) | 127.2 |
| 2' (C) | 140.6 |
| 3' (C) | 136.2 |
| 4' (C) | 148.8 |
| 5' (CH) | 102.1 |
| 6' (CH) | 119.1 |
| 7' (CH) | 82.3 |
| 8' (CH) | 54.5 |
| 9' (CH2) | 73.1 |
| 3a (CH3) | 56 |
| 2'a (CH3) | 59.4 |
| 3'a (CH2) | 100.1 |
