Spektraris NMR
Merrekentrone A
Common Name: Merrekentrone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O3/c1-9-6-11-7-15(2,3)18-14(12(11)13(9)16)10-4-5-17-8-10/h4-8H,1-3H3
InChIKey: InChIKey=ZBPDUCOIPHVDSN-UHFFFAOYSA-N
Formula: C15H14O3
Molecular Weight: 242.270424
Exact Mass: 242.094294
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) | 142.5 |
| 2 (CH) | 109.2 |
| 3 (C) | 120.6 |
| 4 (C) | 178.6 |
| 5 (C) | 104.6 |
| 6 (C) | 190.4 |
| 7 (C) | 132.2 |
| 8 (CH) | 136.3 |
| 9 (C) | 146.8 |
| 10 (CH) | 118 |
| 11 (C) | 79.8 |
| 12 (CH3) | 29.2 |
| 13 (CH) | 147.3 |
| 14 (CH3) | 11.3 |
| 15 (CH3) | 29.2 |
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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.