Spektraris NMR
Herbarin B
Common Name: Herbarin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H10O5/c1-6-7(3-4-9(11)12)15-10(13)5-8(6)14-2/h3-5H,1-2H3,(H,11,12)/b4-3+
InChIKey: InChIKey=RKIATQDHYLUPSL-ONEGZZNKSA-N
Formula: C10H10O5
Molecular Weight: 210.183791
Exact Mass: 210.052823
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) | 172.1 |
| 3 (CH) | 91.9 |
| 4 (C) | 165.1 |
| 5 (C) | 110.5 |
| 6 (C) | 152.6 |
| 4a (CH3) | 57.5 |
| 5a (CH3) | 9.3 |
| 6a (CH) | 125.3 |
| 6b (CH) | 132.3 |
| 6c (C) | 169 |
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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.