Spektraris NMR
Massarinin B
Common Name: Massarinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-10-8-14(22)15-12(17(10)23)9-24-19(15)16-13(21)5-4-11-6-7-20(2,3)25-18(11)16/h4-7,9-10,17,21,23H,8H2,1-3H3/t10-,17+/m0/s1
InChIKey: InChIKey=SRUGXOLNOMJETJ-DYZYQPBXSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
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 (CH) | 128.3 |
| 4 (CH) | 121.9 |
| 5 (CH) | 129.4 |
| 6 (CH) | 112.5 |
| 7 (C) | 156.8 |
| 8 (C) | 109.5 |
| 9 (C) | 153 |
| 10 (C) | 115.7 |
| 2a (CH3) | 27.7 |
| 2b (CH3) | 27.8 |
| 8a (C) | 152 |
| 8b (C) | 119.6 |
| 8c (C) | 198.8 |
| 8d (CH2) | 45.1 |
| 8e (CH) | 39.1 |
| 8f (CH) | 69.1 |
| 8g (C) | 128.8 |
| 8h (CH) | 138.5 |
| 8ea (CH3) | 17.2 |
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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.