Spektraris NMR
Celephthalide C
Common Name: Celephthalide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H28O8/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/h5,9-10,12-16,18-22H,2-4,6-8H2,1H3/t9-,10-,12+,13+,14+,15-,16+,18?/m0/s1
InChIKey: InChIKey=ZMZOLLLUCBNZTC-MWKCLHHZSA-N
Formula: C18H28O8
Molecular Weight: 372.410827
Exact Mass: 372.178418
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) | 169.91 |
| 3 (CH) | 85.55 |
| 4 (CH2) | 25.29 |
| 5 (CH2) | 20.93 |
| 6 (CH2) | 25.06 |
| 7 (CH) | 134.79 |
| 8 (C) | 131.89 |
| 9 (CH) | 43.14 |
| 1' (CH2) | 30.87 |
| 2' (CH2) | 33.37 |
| 3' (CH) | 76.32 |
| 4' (CH3) | 22.38 |
| 1'' (CH) | 104.64 |
| 2'' (CH) | 75.49 |
| 3'' (CH) | 78.66 |
| 4'' (CH) | 71.79 |
| 5'' (CH) | 78.39 |
| 6'' (CH2) | 62.93 |
