Spektraris NMR
Biscopoletin
Common Name: Biscopoletin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H14O8/c1-25-17-5-9-3-11(19(23)27-15(9)7-13(17)21)12-4-10-6-18(26-2)14(22)8-16(10)28-20(12)24/h3-8,21-22H,1-2H3
InChIKey: InChIKey=CATARVOMFPTQIG-UHFFFAOYSA-N
Formula: C20H14O8
Molecular Weight: 382.321128
Exact Mass: 382.068867
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, Q., Zhou, L., Yang, X.W., Fu, D.X. J Asian Nat Prod Res (2009) 11, 85-90
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 159.7 |
| 3 (C) | 117 |
| 4 (CH) | 143.1 |
| 5 (CH) | 109.7 |
| 6 (C) | 145.6 |
| 7 (C) | 151.6 |
| 8 (CH) | 102.5 |
| 9 (C) | 149 |
| 10 (C) | 110.6 |
| 2' (C) | 159.7 |
| 3' (C) | 117 |
| 4' (CH) | 143.1 |
| 5' (CH) | 109.7 |
| 6' (C) | 145.6 |
| 7' (C) | 151.6 |
| 8' (CH) | 102.5 |
| 9' (C) | 149 |
| 10' (C) | 110.6 |
| 6a (CH3) | 56.1 |
| 6'a (CH3) | 56.1 |
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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.