Spektraris NMR
Celephtalide A
Common Name: Celephtalide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O8/c1-9(24-18-16(22)15(21)14(20)13(8-19)26-18)6-7-12-10-4-2-3-5-11(10)17(23)25-12/h2-5,9,12-16,18-22H,6-8H2,1H3/t9-,12?,13+,14+,15-,16+,18+/m0/s1
InChIKey: InChIKey=JXLOFNHWMAAUEM-VXGGFUAWSA-N
Formula: C18H24O8
Molecular Weight: 368.379064
Exact Mass: 368.147118
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Ishikawa, T., Satoh, M. Phytochemistry (2003) 64, 1003-11
Species:
Notes: Family : Aromatics, Type : Phthalides, Group : Alkylphthalides; 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) | 170.61 |
| 3 (CH) | 82.05 |
| 4 (CH) | 122.73 |
| 5 (CH) | 134.27 |
| 6 (CH) | 129.33 |
| 7 (CH) | 125.51 |
| 8 (C) | 126.55 |
| 9 (C) | 150.66 |
| 1' (CH2) | 30.79 |
| 2' (CH2) | 32.37 |
| 3' (CH) | 75.99 |
| 4' (CH3) | 22.19 |
| 1'' (CH) | 104.32 |
| 2'' (CH) | 75.38 |
| 3'' (CH) | 78.61 |
| 4'' (CH) | 71.71 |
| 5'' (CH) | 78.32 |
| 6'' (CH2) | 62.85 |
