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(1S*,2S*,4S*,8R*,9R*,12S*,13R*)-2-Hydroxy-12-methoxyethoxymethoxy-6-oxo-5,14-dioxatetracyclo[6.3.2.1(2,9).0(8,13).]tetradecane
SpectraBase Compound ID RxBPE0D71E
InChI InChI=1S/C16H24O7/c1-19-4-5-20-8-21-10-2-3-11-14-9-6-13(17)22-12(15(10)14)7-16(9,18)23-11/h9-12,14-15,18H,2-8H2,1H3/t9-,10?,11-,12-,14+,15+,16-/m1/s1
InChIKey ITBKNFGXYSRGFY-GQWDZMESSA-N
Mol Weight 328.36 g/mol
Molecular Formula C16H24O7
Exact Mass 328.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58ZXLwNKNM
Name (1S*,2S*,4S*,8R*,9R*,12S*,13R*)-2-Hydroxy-12-methoxyethoxymethoxy-6-oxo-5,14-dioxatetracyclo[6.3.2.1(2,9).0(8,13).]tetradecane
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Formula C16H24O7
InChI InChI=1S/C16H24O7/c1-19-4-5-20-8-21-10-2-3-11-14-9-6-13(17)22-12(15(10)14)7-16(9,18)23-11/h9-12,14-15,18H,2-8H2,1H3/t9-,10?,11-,12-,14+,15+,16-/m1/s1
InChIKey ITBKNFGXYSRGFY-GQWDZMESSA-N
Molecular Weight 328.361 g/mol
SMILES O[C@]12[C@]3([C@]4([C@](O2)(CCC([C@]4([C@@](C1)(OC(C3)=O)[H])[H])OCOCCOC)[H])[H])[H]
SPLASH splash10-0a4i-4980000000-0dc904f4006f7dbd3956
Source of Spectrum QA-41-827-38
Wiley ID 861870