Spektraris NMR
Nigrolineabenzopyran A
Common Name: Nigrolineabenzopyran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C13H14O5/c1-13(2)5-4-7-9(18-13)6-8(14)10(11(7)15)12(16)17-3/h4-6,14-15H,1-3H3
InChIKey: InChIKey=GKOKHOHRWCGSLJ-UHFFFAOYSA-N
Formula: C13H14O5
Molecular Weight: 250.247762
Exact Mass: 250.084124
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Tadpetch, K., Watthanaphanit, A., Saengsanae, N., Phongpaichit, S. J Nat Prod (2005) 68, 1218-21
Species:
Notes: Family : Chromans, Type : 3-Chromenes; 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) | 77.7 |
| 3 (CH) | 125.9 |
| 4 (CH) | 115.9 |
| 5 (C) | 160.6 |
| 6 (C) | 93.5 |
| 7 (C) | 160.6 |
| 8 (CH) | 96.8 |
| 9 (C) | 160.6 |
| 10 (C) | 102.8 |
| 2a (CH3) | 28.3 |
| 2b (CH3) | 28.3 |
| 6a (C) | 169.8 |
| 6b (CH3) | 52.5 |
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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.