Spektraris NMR
Assiguxantona-B
Common Name: Assiguxantona-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-8(2)3-4-9-11(19)6-15-16(17(9)22)18(23)10-5-12(20)13(21)7-14(10)24-15/h3,5-7,19-22H,4H2,1-2H3
InChIKey: InChIKey=ACRGTLGOYYTGNX-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pinheiro, L., Cortez, D.A.G. Quim Nova (2003) 26, 157-60
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) | 159.3 |
| 2 (C) | 111.8 |
| 3 (C) | 163.7 |
| 4 (CH) | 89.4 |
| 4a (C) | 156.1 |
| 5 (CH) | 99.3 |
| 6 (C) | 155.4 |
| 7 (C) | 146.6 |
| 8 (CH) | 104.6 |
| 8a (C) | 113.5 |
| 9 (C) | 179.8 |
| 9a (C) | 103.5 |
| 10a (C) | 152.2 |
| 1' (CH2) | 21.3 |
| 2' (CH) | 122.1 |
| 3' (C) | 131.9 |
| 4' (CH3) | 17.8 |
| 5' (CH3) | 25.8 |
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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.