Spektraris NMR
Merrekentrone C
Common Name: Merrekentrone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-10(2)6-12(16)8-15(3)14(17)7-13(19-15)11-4-5-18-9-11/h4-7,9H,8H2,1-3H3/t15-/m1/s1
InChIKey: InChIKey=UWVQKUQCCZIUHK-OAHLLOKOSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
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) | 143.4 |
| 2 (CH) | 107.5 |
| 3 (C) | 116.6 |
| 4 (C) | 177.5 |
| 5 (CH) | 98.8 |
| 6 (C) | 194 |
| 7 (C) | 86.9 |
| 8 (CH2) | 48.6 |
| 9 (C) | 204.5 |
| 10 (CH) | 122.6 |
| 11 (C) | 156 |
| 12 (CH3) | 26.7 |
| 13 (CH) | 143.4 |
| 14 (CH3) | 21.5 |
| 15 (CH3) | 19.9 |
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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.