Spektraris NMR
Massarinin A
Common Name: Massarinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O6/c1-11-9-15(24)16(13(10-22)19(11)26-4)18(25)17-14(23)6-5-12-7-8-21(2,3)27-20(12)17/h5-10,23-24H,1-4H3
InChIKey: InChIKey=MEPDGCUSJWFRRO-UHFFFAOYSA-N
Formula: C21H20O6
Molecular Weight: 368.380698
Exact Mass: 368.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oh, H., Swenson, D.C., Gloer, J.B., Shearer, C.A. J Nat Prod (2003) 66, 73-9
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) | 77.3 |
| 3 (CH) | 126.4 |
| 4 (CH) | 121.8 |
| 5 (CH) | 134 |
| 6 (CH) | 109.6 |
| 7 (C) | 163.5 |
| 8 (C) | 111.7 |
| 9 (C) | 154.5 |
| 10 (C) | 112.7 |
| 2a (CH3) | 27.3 |
| 2b (CH3) | 27.3 |
| 8a (C) | 200.3 |
| 8b (C) | 128.5 |
| 8c (C) | 127.8 |
| 8d (C) | 155.5 |
| 8e (C) | 134 |
| 8f (CH) | 125.2 |
| 8g (C) | 147.8 |
| 8ca (CH) | 189.3 |
| 8da (CH3) | 15.5 |
| 8ea (CH3) | 63.6 |
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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.