Spektraris NMR
demethylcalabaxanthone
Common Name: demethylcalabaxanthone
Synonyms: demethylcalabaxanthone
CAS Registry Number:
InChI: InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3
InChIKey: InChIKey=SDKLJUCURHMDBQ-UHFFFAOYSA-N
Formula: C23H22O5
Molecular Weight: 378.418647
Exact Mass: 378.146724
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Suksamrarn, S., Suwannapoch, N., Phakhodee, W., Thanuhiranlert, J., Ratananukul, P., Chimnoi, N., Suksamrarn, A. Chem Pharm Bull (2003) 51, 857-9
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) | 157.6 |
| 2 (C) | 104.1 |
| 3 (C) | 160.1 |
| 4 (CH) | 94.1 |
| 4a (C) | 156.6 |
| 5 (CH) | 116.1 |
| 6 (CH) | 123 |
| 7 (C) | 151.1 |
| 8 (C) | 132.7 |
| 8a (C) | 118.9 |
| 9 (C) | 183.4 |
| 9a (C) | 94.4 |
| 10a (C) | 151.5 |
| 1' (CH) | 115.7 |
| 2' (CH) | 127.2 |
| 3' (C) | 78 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
| 1'' (CH2) | 25.7 |
| 2'' (CH) | 122.7 |
| 3'' (C) | 128.2 |
| 4'' (CH3) | 18.1 |
| 5'' (CH3) | 25.9 |
