Spektraris NMR
Merrekentrone D
Common Name: Merrekentrone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-9(2)6-12-7-10(3)14(16)13(12)15(17)11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKey: InChIKey=YUPNXZJXDREVDT-UHFFFAOYSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
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) | 143.9 |
| 2 (CH) | 108.9 |
| 3 (C) | 127.9 |
| 4 (C) | 186.4 |
| 5 (C) | 141.1 |
| 6 (C) | 207.6 |
| 7 (CH) | 40.7 |
| 8 (CH2) | 39.4 |
| 9 (C) | 181.5 |
| 10 (CH2) | 40.9 |
| 11 (CH) | 27.6 |
| 12 (CH3) | 22.7 |
| 13 (CH) | 149.8 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 22.6 |
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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.