Spektraris NMR
Lappaol F
Common Name: Lappaol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37?/m0/s1
InChIKey: InChIKey=YXNKOCZXAVTXTG-FPZNRJBWSA-N
Formula: C40H42O12
Molecular Weight: 714.755807
Exact Mass: 714.267627
NMR Solvent: CDCl3
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) | 128.4 |
| 2 (CH) | 113.1 |
| 3 (C) | 147.1 |
| 4 (C) | 145.6 |
| 5 (C) | 132.7 |
| 6 (CH) | 114.3 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 46.6 |
| 9 (C) | 178.5 |
| 1' (C) | 128.9 |
| 2' (CH) | 113.5 |
| 3' (C) | 147.1 |
| 4' (C) | 145.6 |
| 5' (C) | 132.9 |
| 6' (CH) | 114.3 |
| 7' (CH2) | 38.4 |
| 8' (CH) | 41.6 |
| 9' (CH2) | 71.2 |
| 1'' (C) | 131 |
| 2'' (CH) | 108.8 |
| 3'' (C) | 146.7 |
| 4'' (C) | 144.2 |
| 5'' (CH) | 116.6 |
| 6'' (CH) | 119.2 |
| 7'' (CH) | 87.9 |
| 8'' (CH) | 53.4 |
| 9'' (CH2) | 64 |
| 1''' (C) | 131.3 |
| 2''' (CH) | 108.8 |
| 3''' (C) | 146.7 |
| 4''' (C) | 144.2 |
| 5''' (CH) | 117.3 |
| 6''' (CH) | 119.2 |
| 7''' (CH) | 87.9 |
| 8''' (CH) | 53.4 |
| 9''' (CH2) | 64 |
| 5a (CH3) | 56 |
| 3'a (CH3) | 56 |
| 3''a (CH3) | 56.1 |
| 3'''a (CH3) | 56.1 |
