Spektraris NMR
Thelephantin B
Common Name: Thelephantin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H28O9/c1-2-3-4-5-24(35)39-29-25(18-6-12-21(32)13-7-18)28(37)30(40-31(38)20-10-16-23(34)17-11-20)26(27(29)36)19-8-14-22(33)15-9-19/h6-17,32-34,36-37H,2-5H2,1H3
InChIKey: InChIKey=PVJPNBBVZSBLLI-UHFFFAOYSA-N
Formula: C31H28O9
Molecular Weight: 544.549798
Exact Mass: 544.173332
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Quang D.N., Hashimoto T., Nukada M., Yamamoto I., Hitaka Y., Tanaka M., Asakawa Y. Phytochemistry (2003) 62, 109-13
Species:
Notes: Family : Aromatics, Type : Benzenes, Group : Therphenyls; 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) | 157.9 |
| 2 (CH) | 116.3 |
| 3 (CH) | 132.6 |
| 4 (C) | 125 |
| 5 (CH) | 132.6 |
| 6 (CH) | 116.3 |
| 7 (C) | 124.1 |
| 8 (C) | 135 |
| 9 (C) | 142.5 |
| 10 (C) | 123.9 |
| 11 (C) | 135 |
| 12 (C) | 142.5 |
| 13 (C) | 125 |
| 14 (CH) | 132.7 |
| 15 (CH) | 116 |
| 16 (C) | 158.2 |
| 17 (CH) | 116 |
| 18 (CH) | 132.7 |
| 1' (C) | 166.3 |
| 2' (C) | 120.9 |
| 3' (CH) | 133.3 |
| 4' (CH) | 115.9 |
| 5' (C) | 164.1 |
| 6' (CH) | 115.9 |
| 7' (CH) | 133.3 |
| 1'' (C) | 173.4 |
| 2'' (CH2) | 34.6 |
| 3'' (CH2) | 25.5 |
| 4'' (CH2) | 32 |
| 5'' (CH2) | 23.2 |
| 6'' (CH3) | 14.1 |
