Spektraris NMR
aspergione B
Common Name: aspergione B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-7-6-10-4-5-11-13(16)8(2)9(3)19-14(11)12(10)15(17)18-7/h4-5,7,15,17H,6H2,1-3H3
InChIKey: InChIKey=LKSUTKLZDIWZPN-UHFFFAOYSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Saito, F., Kuramochi, K., Nakazaki, A., Mizushina, Y., Sugawara, F., Kobayashi, S. Eur J Org Chem (2006) 0, 4796-9
Species:
Notes: Family : Isochromans, Type : Isochromanones; 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 (CH) | 88.1 |
| 3 (CH) | 62.6 |
| 4 (CH2) | 35.5 |
| 5 (CH) | 124.8 |
| 6 (CH) | 125.6 |
| 7 (C) | 121 |
| 8 (C) | 150.3 |
| 9 (C) | 123.1 |
| 10 (C) | 140.3 |
| 3a (CH3) | 21.2 |
| 7a (C) | 177.7 |
| 7b (C) | 117.1 |
| 7c (C) | 161.3 |
| 7ba (CH3) | 10 |
| 7ca (CH3) | 18.6 |
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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.