Spektraris NMR
(1αR,2αS,6R,7αS,9αR)-6-(Acetyloxy)-2,2a,6,6α,7α,8,9,9α-octahydro-1α-5,7α-trimethylbisoxirenocyclodeca[1,2-β]furan-4(1αH)-one
![(1αR,2αS,6R,7αS,9αR)-6-(Acetyloxy)-2,2a,6,6α,7α,8,9,9α-octahydro-1α-5,7α-trimethylbisoxirenocyclodeca[1,2-β]furan-4(1αH)-one](/nmr/static/nmr/svg/21292.svg)
Common Name: (1αR,2αS,6R,7αS,9αR)-6-(Acetyloxy)-2,2a,6,6α,7α,8,9,9α-octahydro-1α-5,7α-trimethylbisoxirenocyclodeca[1,2-β]furan-4(1αH)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O6/c1-8-12-10(21-15(8)19)7-17(4)11(22-17)5-6-16(3)14(23-16)13(12)20-9(2)18/h10-11,13-14H,5-7H2,1-4H3/t10-,11+,13+,14+,16+,17+/m1/s1
InChIKey: InChIKey=FEPGWMSVSODUCQ-MSQZZRDTSA-N
Formula: C17H22O6
Molecular Weight: 322.353636
Exact Mass: 322.141638
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Liu, Y., Li, C., Shi, J.G., Shi, Y.P. Helv Chim Acta (2009) 92, 335-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH2) | 38.2 |
| 2 (CH2) | 25 |
| 3 (CH) | 67.7 |
| 4 (C) | 58.2 |
| 5 (CH2) | 45.3 |
| 6 (CH) | 78.6 |
| 7 (C) | 157.3 |
| 8 (CH) | 68.1 |
| 9 (CH) | 62.1 |
| 10 (C) | 63.9 |
| 11 (C) | 130.2 |
| 12 (C) | 172.3 |
| 13 (CH3) | 9.3 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 20.7 |
| 8a (C) | 169.6 |
| 8b (CH3) | 20.7 |
