| SpectraBase Spectrum ID |
LY4hToNiodX |
| Name |
(+-)-(1S*,2S*,6S*,7S*,10R*,12R*)-2-Methyl-8,13-dioxotetracyclo[10.3.1,0(1,10).0(2,7)]hexadecan-6-carbonitrile 13,13-ethylene acetal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27NO3 |
| InChI |
InChI=1S/C20H27NO3/c1-18-4-2-3-13(12-21)17(18)16(22)10-14-9-15-11-19(14,18)5-6-20(15)23-7-8-24-20/h13-15,17H,2-11H2,1H3/t13-,14-,15?,17-,18+,19+/m1/s1 |
| InChIKey |
LCDMAROSCOFZAP-RKQHDOQHSA-N |
| Molecular Weight |
329.440 g/mol |
| SMILES |
[C@@]123[C@@]4([C@@]([C@@](C#N)(CCC4)[H])([H])C(C[C@]1(CC(C2)C1(CC3)OCCO1)[H])=O)C |
| SPLASH |
splash10-0002-9000000000-34854aececc308b7c6b5 |
| Source of Spectrum |
J-66-4837-20 |
| Wiley ID |
1535528 |
![(+-)-(1S*,2S*,6S*,7S*,10R*,12R*)-2-Methyl-8,13-dioxotetracyclo[10.3.1,0(1,10).0(2,7)]hexadecan-6-carbonitrile 13,13-ethylene acetal](/api/spectrum/LY4hToNiodX/structure.png?h=300&w=458 "(+-)-(1S*,2S*,6S*,7S*,10R*,12R*)-2-Methyl-8,13-dioxotetracyclo[10.3.1,0(1,10).0(2,7)]hexadecan-6-carbonitrile 13,13-ethylene acetal")
