Spektraris NMR
77741-58-3
Common Name: 77741-58-3
Synonyms: 77741-58-3
CAS Registry Number:
InChI: InChI=1S/C19H18O5/c1-10(2)4-6-12-15(23-3)9-16-17(18(12)21)19(22)13-8-11(20)5-7-14(13)24-16/h4-5,7-9,20-21H,6H2,1-3H3
InChIKey: InChIKey=JKOMBLYQDHTFJC-UHFFFAOYSA-N
Formula: C19H18O5
Molecular Weight: 326.34394
Exact Mass: 326.115424
NMR Solvent: CD3COCD3
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) | 160 |
| 2 (C) | 111.8 |
| 3 (C) | 165.3 |
| 4 (CH) | 90.6 |
| 4a (C) | 157.2 |
| 5 (CH) | 119.7 |
| 6 (CH) | 125.1 |
| 7 (C) | 154.8 |
| 8 (CH) | 109.2 |
| 8a (C) | 121.8 |
| 9 (C) | 181.5 |
| 9a (C) | 104.2 |
| 10a (C) | 150.7 |
| 1' (CH2) | 21.8 |
| 2' (CH) | 123 |
| 3' (C) | 131.7 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 25.8 |
| 3a (CH3) | 56.6 |
