Spektraris NMR
CHEMBL389214
Common Name: CHEMBL389214
Synonyms: CHEMBL389214
CAS Registry Number:
InChI: InChI=1S/C19H18O4/c1-10-15(20)14-16(21)11-6-4-5-7-13(11)22-18(14)12-8-9-19(2,3)23-17(10)12/h4-7,20H,8-9H2,1-3H3
InChIKey: InChIKey=YBFOZDLGSKJOSZ-UHFFFAOYSA-N
Formula: C19H18O4
Molecular Weight: 310.344535
Exact Mass: 310.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castanheiro, R.A., Pinto, M.M., Silva, A.M., Cravo, S.M., Gales, L., Damas, A.M., Nazareth, N., Nascimento, M.S., Eaton, G. Bioorg Med Chem (2007) 15, 6080-8
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) | 157.9 |
| 2 (C) | 107.5 |
| 3 (C) | 159.7 |
| 4 (C) | 99 |
| 4a (C) | 152.5 |
| 5 (CH) | 117.4 |
| 6 (CH) | 134.4 |
| 7 (CH) | 123.7 |
| 8 (CH) | 125.8 |
| 8a (C) | 120.7 |
| 9 (C) | 180.7 |
| 9a (C) | 103 |
| 10a (C) | 155.8 |
| 1' (CH2) | 16.4 |
| 2' (CH2) | 31.7 |
| 3' (C) | 76 |
| 4' (CH3) | 26.8 |
| 5' (CH3) | 26.8 |
| 2a (CH3) | 7.2 |
