| SpectraBase Spectrum ID |
DuvJ6GaevJN |
| Name |
5-n-Octyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane |
| Alternate Name(s) |
(4S,9S)-6-octyl-5,7-dioxatetracyclo[6.3.0.0(2,6).0(3,10)]undecane-4,9-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O4 |
| InChI |
InChI=1S/C17H28O4/c1-2-3-4-5-6-7-8-17-13-11-9-10(12(13)16(19)21-17)14(18)15(11)20-17/h10-16,18-19H,2-9H2,1H3/t10-,11+,12+,13-,14-,15+,16-,17+/m0/s1 |
| InChIKey |
DPRMTUAUMKGVGW-CPFOINDTSA-N |
| Molecular Weight |
296.407 g/mol |
| SMILES |
O[C@]1([C@@]2([C@@]3([C@]4([C@@](O[C@@]3(O)[H])(O[C@@]1([C@@]4(C2)[H])[H])CCCCCCCC)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-0900000000-28c6008b1eb338dfca33 |
| Source of Spectrum |
F-56-345-4 |
| Wiley ID |
855593 |
![5-n-Octyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane](/api/spectrum/DuvJ6GaevJN/structure.png?h=300&w=458 "5-n-Octyl-3.beta.,9.beta.-dihydroxy-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane")
