Spektraris NMR
Merrekentrone B
Common Name: Merrekentrone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O4/c1-15(2)6-10-5-11(7-16)13(17)12(10)14(19-15)9-3-4-18-8-9/h3-6,8,16H,7H2,1-2H3
InChIKey: InChIKey=JALVJVQQNNSJDS-UHFFFAOYSA-N
Formula: C15H14O4
Molecular Weight: 258.269829
Exact Mass: 258.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jenett-Siems, K., Siems, K., Witte, L., Eich, E. J Nat Prod (2001) 64, 1471-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 142.7 |
| 2 (CH) | 109 |
| 3 (C) | 120.5 |
| 4 (C) | 189.9 |
| 5 (C) | 104.8 |
| 6 (C) | 200.7 |
| 7 (C) | 132 |
| 8 (CH) | 135.4 |
| 9 (C) | 146.8 |
| 10 (CH) | 120.4 |
| 11 (C) | 80.3 |
| 12 (CH3) | 28.9 |
| 13 (CH) | 147.5 |
| 14 (CH2) | 58.7 |
| 15 (CH3) | 28.9 |
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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.