Spektraris NMR
Arctignan E
Common Name: Arctignan E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H44O13/c1-48-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-21(13-34(50-3)37(26)46)10-25-24(19-52-40(25)47)9-20-12-27-29(18-42)38(53-39(27)35(14-20)51-4)23-6-8-31(44)33(16-23)49-2/h5-8,11-16,24-25,28-29,36,38,41-46H,9-10,17-19H2,1-4H3/t24-,25+,28?,29-,36?,38+/m0/s1
InChIKey: InChIKey=BQAUNBCJFDCZFB-FGEPHIOBSA-N
Formula: C40H44O13
Molecular Weight: 732.771093
Exact Mass: 732.278191
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Umehara, K., Sugawa, A., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 1774-9
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) | 126.8 |
| 2 (CH) | 115.6 |
| 3 (C) | 146.1 |
| 4 (C) | 144.6 |
| 5 (C) | 136.3 |
| 6 (CH) | 125.4 |
| 7 (CH2) | 35 |
| 8 (CH) | 47.1 |
| 9 (C) | 179 |
| 1' (C) | 129 |
| 2' (CH) | 111.9 |
| 3' (C) | 147.2 |
| 4' (C) | 144.9 |
| 5' (C) | 134.3 |
| 6' (CH) | 118.1 |
| 7' (CH2) | 38.4 |
| 8' (CH) | 41.5 |
| 9' (CH2) | 71.6 |
| 1'' (C) | 132.5 |
| 2'' (CH) | 110.8 |
| 3'' (C) | 148.5 |
| 4'' (C) | 147.8 |
| 5'' (CH) | 114.9 |
| 6'' (CH) | 119.6 |
| 7'' (CH) | 74.1 |
| 8'' (CH) | 52.3 |
| 9'' (CH2) | 63 |
| 1''' (C) | 130.3 |
| 2''' (CH) | 110.4 |
| 3''' (C) | 148.3 |
| 4''' (C) | 147.6 |
| 5''' (CH) | 114.2 |
| 6''' (CH) | 119.8 |
| 7''' (CH) | 88.2 |
| 8''' (CH) | 54.7 |
| 9''' (CH2) | 64.5 |
| 5a (CH3) | 56 |
| 3'a (CH3) | 56.2 |
| 3''a (CH3) | 56.2 |
| 3'''a (CH3) | 56.4 |
