Spektraris NMR
Thoreliamide B
Common Name: Thoreliamide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H29NO8/c1-34-23-14-19(15-24(35-2)27(23)33)28-25(16-30)36-22-13-18(5-9-21(22)37-28)6-10-26(32)29-12-11-17-3-7-20(31)8-4-17/h3-10,13-15,25,28,30-31,33H,11-12,16H2,1-2H3,(H,29,32)/b10-6+
InChIKey: InChIKey=IGDCFSHZJNAISI-UXBLZVDNSA-N
Formula: C28H29N1O8
Molecular Weight: 507.532869
Exact Mass: 507.189317
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ge, F., Tang, C.P., Ye, Y. Helv Chim Acta (2008) 91, 1023-30
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) | 127.9 |
| 2 (CH) | 106.2 |
| 3 (C) | 148.8 |
| 4 (C) | 137.5 |
| 5 (C) | 148.8 |
| 6 (CH) | 106.2 |
| 7 (CH) | 77.7 |
| 8 (CH) | 79.5 |
| 9 (CH2) | 61.8 |
| 1' (C) | 129.9 |
| 2' (CH) | 116.6 |
| 3' (C) | 144.8 |
| 4' (C) | 146.2 |
| 5' (CH) | 118.1 |
| 6' (CH) | 121.7 |
| 7' (CH) | 139.7 |
| 8' (CH) | 121.1 |
| 9' (C) | 166.1 |
| 1'' (C) | 131.2 |
| 2'' (CH) | 130.5 |
| 3'' (CH) | 116.1 |
| 4'' (C) | 156.7 |
| 5'' (CH) | 116.1 |
| 6'' (CH) | 130.5 |
| 7'' (CH2) | 35.7 |
| 8'' (CH2) | 41.9 |
| 3a (CH3) | 56.7 |
| 5a (CH3) | 56.7 |
