Spektraris NMR
Virgataxanthone A
Common Name: Virgataxanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-19-20(29)14-21(30)24-26(33)23-18(11-9-16(3)4)13-22(31)25(32)28(23)34-27(19)24/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey: InChIKey=QAOGQIBMQCOARS-LICLKQGHSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Merza, J., Aumond, M.C., Rondeau, D., Dumontet, V., Le Ray, A.M., Seraphin, D., Richomme, P. Phytochemistry (2004) 65, 2915-20
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 161 |
| 2 (CH) | 98.5 |
| 3 (C) | 160.1 |
| 4 (C) | 104 |
| 4a (C) | 152.6 |
| 5 (C) | 147.4 |
| 6 (C) | 145.4 |
| 7 (CH) | 113 |
| 8 (C) | 137.1 |
| 8a (C) | 111.3 |
| 9 (C) | 181.4 |
| 9a (C) | 103.6 |
| 10a (C) | 145.5 |
| 1' (CH2) | 22.4 |
| 2' (CH) | 121.4 |
| 3' (C) | 137.6 |
| 4' (CH2) | 39.9 |
| 5' (CH2) | 26.4 |
| 6' (CH) | 123.1 |
| 7' (C) | 131.5 |
| 8' (CH3) | 18.5 |
| 9' (CH3) | 25.2 |
| 10' (CH3) | 16.9 |
| 1'' (CH2) | 33.4 |
| 2'' (CH) | 121.9 |
| 3'' (C) | 132.7 |
| 4'' (CH3) | 18.3 |
| 5'' (CH3) | 26.1 |
