Spektraris NMR
Triacetylvarioxirane
Common Name: Triacetylvarioxirane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O8/c1-12-20(27-12)21(29-15(4)24)19(28-14(3)23)10-9-16-7-6-8-18(25-5)17(16)11-26-13(2)22/h6-10,12,19-21H,11H2,1-5H3/b10-9+/t12-,19+,20-,21+/m1/s1
InChIKey: InChIKey=GXKHYGXLUUHISS-FAAKKXKNSA-N
Formula: C21H26O8
Molecular Weight: 406.427153
Exact Mass: 406.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malmstrom, J., Christophersen, C., Barrero, A.F., Oltra, J.E., Justicia, J., Rosales, A. J Nat Prod (2002) 65, 364-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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) | 131.9 |
| 2 (C) | 158.6 |
| 3 (CH) | 110.6 |
| 4 (CH) | 130 |
| 5 (CH) | 119 |
| 6 (C) | 138.4 |
| 7 (CH2) | 57.6 |
| 1' (CH) | 132 |
| 2' (CH) | 126 |
| 3' (CH) | 73.8 |
| 4' (CH) | 73.2 |
| 5' (CH) | 53 |
| 6' (CH) | 27.1 |
| 7' (CH3) | 17.2 |
| 2a (CH3) | 56 |
| 7a (C) | 171.1 |
| 7b (CH3) | 21.1 |
| 3'a (C) | 169.9 |
| 3'b (CH3) | 21 |
| 4'a (C) | 169.8 |
| 4'b (CH3) | 20.9 |
