Spektraris NMR
Herbarin A
Common Name: Herbarin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H12O5/c1-8-9(5-3-4-6-11(13)14)17-12(15)7-10(8)16-2/h3-7H,1-2H3,(H,13,14)/b5-3+,6-4+
InChIKey: InChIKey=ISQQPILYSRJHBC-GGWOSOGESA-N
Formula: C12H12O5
Molecular Weight: 236.221144
Exact Mass: 236.068473
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jadulco, R., Brauers, G., Edrada, R.A., Ebel, R., Wray, V., Sudarsono, S., Proksch, P. J Nat Prod (2002) 65, 730-3
Species:
Notes: Family : Pyranes, Type : Pyrones; 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) | 172.6 |
| 3 (CH) | 90.6 |
| 4 (C) | 165.9 |
| 5 (C) | 112.9 |
| 6 (C) | 154.3 |
| 4a (CH3) | 57.4 |
| 5a (CH3) | 9.1 |
| 6a (CH) | 126.7 |
| 6b (CH) | 133.4 |
| 6c (CH) | 144.3 |
| 6d (CH) | 127.9 |
| 6e (C) | 169.7 |
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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.