Spektraris NMR
Thelephantin A
Common Name: Thelephantin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H24O9/c1-2-3-22(33)37-27-23(16-4-10-19(30)11-5-16)26(35)28(38-29(36)18-8-14-21(32)15-9-18)24(25(27)34)17-6-12-20(31)13-7-17/h4-15,30-32,34-35H,2-3H2,1H3
InChIKey: InChIKey=CNDDIRNNJHDZCC-UHFFFAOYSA-N
Formula: C29H24O9
Molecular Weight: 516.496563
Exact Mass: 516.142032
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) | 142.4 |
| 10 (C) | 123.9 |
| 11 (C) | 135 |
| 12 (C) | 142.4 |
| 13 (C) | 125 |
| 14 (CH) | 132.7 |
| 15 (CH) | 116 |
| 16 (C) | 158.1 |
| 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) | 173.2 |
| 2'' (CH2) | 36.4 |
| 3'' (CH2) | 19.1 |
| 4'' (CH3) | 13.6 |
