Spektraris NMR
Roeperanone
Common Name: Roeperanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)9-10-18(16(3)4)13-20-22(30)14-23(31)24-25(32)19-11-12-21(29)26(33)28(19)34-27(20)24/h7,9,11-12,14,18,29-31,33H,3,6,8,10,13H2,1-2,4-5H3/b17-9+
InChIKey: InChIKey=JTTFEYFSONRJOU-RQZCQDPDSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rath, G., Potterat, O., Mavi, S., Hostettmann, K. Phytochemistry (1996) 43, 513-20
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) | 163.7 |
| 2 (CH) | 98.2 |
| 3 (C) | 162.4 |
| 4 (C) | 114.7 |
| 4a (C) | 156.3 |
| 5 (C) | 135.4 |
| 6 (C) | 152.3 |
| 7 (CH) | 113.4 |
| 8 (CH) | 117.4 |
| 8a (C) | 107.1 |
| 9 (C) | 181.5 |
| 9a (C) | 103 |
| 10a (C) | 147.3 |
| 1' (CH2) | 27.7 |
| 2' (CH) | 47.9 |
| 3' (CH2) | 32.1 |
| 4' (CH) | 125.2 |
| 5' (C) | 133.6 |
| 6' (CH3) | 16.2 |
| 7' (CH2) | 40.4 |
| 8' (CH2) | 27.3 |
| 9' (CH) | 124.4 |
| 10' (C) | 131.4 |
| 11' (CH3) | 17.7 |
| 12' (CH3) | 25.8 |
| 13' (C) | 149 |
| 14' (CH2) | 111.4 |
| 15' (CH3) | 19 |
