Spektraris NMR
Ecbolin A
Common Name: Ecbolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O9/c1-24-19-16(20(25-2)22-23(21(19)26-3)32-10-31-22)18-13-8-27-17(12(13)7-28-18)11-4-5-14-15(6-11)30-9-29-14/h4-6,12-13,17-18H,7-10H2,1-3H3/t12-,13-,17?,18-/m0/s1
InChIKey: InChIKey=SVNJIRPWPFBSOX-SDCYFYEMSA-N
Formula: C23H24O9
Molecular Weight: 444.432148
Exact Mass: 444.142032
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Venkataraman R., Gopalakrishnan S. Phytochemistry (2002) 61, 963-6
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) | 134.8 |
| 2 (CH) | 106.4 |
| 3 (C) | 146 |
| 4 (C) | 147.8 |
| 5 (CH) | 108 |
| 6 (CH) | 119.2 |
| 7 (CH) | 84.9 |
| 8 (CH) | 52.1 |
| 9 (CH2) | 72.1 |
| 1' (C) | 135.4 |
| 2' (C) | 119.2 |
| 3' (C) | 136.9 |
| 4' (C) | 137.1 |
| 5' (C) | 101.3 |
| 6' (C) | 133.2 |
| 7' (CH) | 79.6 |
| 8' (CH) | 55.5 |
| 9' (CH2) | 72.2 |
| 3a (CH2) | 100.9 |
| 2'a (CH3) | 60.1 |
| 3'a (CH2) | 101.3 |
| 5'a (CH3) | 60.2 |
| 6'a (CH3) | 61.9 |
