Spektraris NMR
4-Epi-isoinuviscolide
Common Name: 4-Epi-isoinuviscolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h6,10-13,17H,2,4-5,7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
InChIKey: InChIKey=APMKESKZWHNIDJ-PFFFPCNUSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abou-Douh, A.M. Chem Pharm Bull (2008) 56, 1535-45
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 47.2 |
| 2 (CH2) | 26.3 |
| 3 (CH2) | 42 |
| 4 (C) | 80.5 |
| 5 (CH) | 53.4 |
| 6 (CH2) | 31.7 |
| 7 (CH) | 47.9 |
| 8 (CH) | 83.7 |
| 9 (CH) | 126.7 |
| 10 (C) | 143.1 |
| 11 (C) | 141.7 |
| 12 (C) | 172.2 |
| 13 (CH2) | 119.6 |
| 14 (CH3) | 21.5 |
| 15 (CH3) | 25.6 |
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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.