Spektraris NMR
Thelephantin C
Common Name: Thelephantin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H30O9/c1-17(2)18(3)16-25(36)40-30-26(19-4-10-22(33)11-5-19)29(38)31(41-32(39)21-8-14-24(35)15-9-21)27(28(30)37)20-6-12-23(34)13-7-20/h4-15,17-18,33-35,37-38H,16H2,1-3H3
InChIKey: InChIKey=IXNCXNGAGCSAMG-UHFFFAOYSA-N
Formula: C32H30O9
Molecular Weight: 558.576416
Exact Mass: 558.188983
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) | 125.1 |
| 5 (CH) | 132.6 |
| 6 (CH) | 116.3 |
| 7 (C) | 124.1 |
| 8 (C) | 135 |
| 9 (C) | 142.5 |
| 10 (C) | 124 |
| 11 (C) | 135.1 |
| 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) | 121 |
| 3' (CH) | 133.4 |
| 4' (CH) | 115.9 |
| 5' (C) | 164.1 |
| 6' (CH) | 115.9 |
| 7' (CH) | 133.4 |
| 1'' (C) | 173.1 |
| 2'' (CH2) | 39.6 |
| 3'' (CH) | 36.8 |
| 4'' (CH) | 32.6 |
| 5'' (CH3) | 20.3 |
| 6'' (CH3) | 18 |
| 7'' (CH3) | 15.7 |
