Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O5/c1-7-4-5-9-10(6-20-3)16(19)21-15(9)12-8(2)13(17)14(18)11(7)12/h9-10,12,15,17H,4-6H2,1-3H3/t9-,10?,12-,15-/m0/s1
InChIKey: InChIKey=VDVMPSOXGVTKJY-NEAYCMDDSA-N
Formula: C16H20O5
Molecular Weight: 292.327614
Exact Mass: 292.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Toscano, R.A., Maldonado, E. Phytochemistry (1998) 49, 1085-90
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 (C) | 128.7 |
| 2 (C) | 188.8 |
| 3 (C) | 135.4 |
| 4 (C) | 152.1 |
| 5 (CH) | 47.9 |
| 6 (CH) | 85.7 |
| 7 (CH) | 50.5 |
| 8 (CH2) | 25.9 |
| 9 (CH2) | 37.3 |
| 10 (C) | 154.1 |
| 11 (CH) | 46.9 |
| 12 (C) | 174.9 |
| 13 (CH2) | 68.3 |
| 14 (CH3) | 22.1 |
| 15 (CH3) | 14 |
| 13a (CH3) | 59.3 |
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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.