Spektraris NMR
Paecilin B
Common Name: Paecilin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O7/c1-8-6-12(19)22-14(8)16(15(20)21-2)7-10(18)13-9(17)4-3-5-11(13)23-16/h3-5,8,14,17H,6-7H2,1-2H3
InChIKey: InChIKey=QOBIDOOHIOXPIA-UHFFFAOYSA-N
Formula: C16H16O7
Molecular Weight: 320.294661
Exact Mass: 320.089603
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guo, Z., She, Z., Shao, C., Wen, L., Liu, F., Zheng, Z., Lin, Y. Magn Reson Chem (2007) 45, 777-80
Species:
Notes: Family : Chromans, Type : Chromones; 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 |
|---|---|
| 2 (C) | 84.87 |
| 3 (CH2) | 39.98 |
| 4 (C) | 195 |
| 5 (C) | 161.89 |
| 6 (CH) | 109.77 |
| 7 (CH) | 138.97 |
| 8 (CH) | 107.8 |
| 9 (C) | 155.38 |
| 10 (C) | 130.42 |
| 1'' (CH) | 82.63 |
| 2'' (CH) | 33.58 |
| 3'' (CH2) | 36.8 |
| 4'' (C) | 174.66 |
| 5'' (CH3) | 14.63 |
| 2a (C) | 169.3 |
| 2b (CH3) | 53.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.