Spektraris NMR
(2S,3S)-(+)-5'-Methoxyyatein
Common Name: (2S,3S)-(+)-5'-Methoxyyatein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3/t15-,16+/m1/s1
InChIKey: InChIKey=AIIBKXWZZGYRAR-CVEARBPZSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, N., Wu, J.L., Sakai, J., Ando, M. J Nat Prod (2003) 66, 1421-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 132.3 |
| 2 (CH) | 102.4 |
| 3 (C) | 149.2 |
| 4 (C) | 134 |
| 5 (C) | 143.5 |
| 6 (CH) | 108.3 |
| 7 (CH2) | 38.7 |
| 8 (CH) | 41.1 |
| 9 (CH2) | 71.2 |
| 1' (C) | 133.3 |
| 2' (CH) | 106.3 |
| 3' (C) | 153.3 |
| 4' (C) | 137 |
| 5' (C) | 153.3 |
| 6' (CH) | 106.3 |
| 7' (CH2) | 35.3 |
| 8' (CH) | 46.5 |
| 9' (C) | 178.5 |
| 3a (CH2) | 101.5 |
| 5a (CH3) | 56.7 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 60.9 |
| 5'a (CH3) | 56.1 |
