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8-(2-(3-acetoxy-3,3-dideuteropropyl)-3,5-di(acetoxy)cyclopentyl)-6-acetoxy-6-deuterooctanoic acid methyl ester
SpectraBase Compound ID DDU6i96FijP
InChI InChI=1S/C25H40O10/c1-16(26)32-14-8-10-21-22(24(35-19(4)29)15-23(21)34-18(3)28)13-12-20(33-17(2)27)9-6-7-11-25(30)31-5/h20-24H,6-15H2,1-5H3/i14D2,20D
InChIKey VSDLRYOEWIMKJK-SBTRAQGWSA-N
Mol Weight 503.6 g/mol
Molecular Formula C25H372D3O10
Exact Mass 503.280978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OaMUWJFq4
Name 8-(2-(3-acetoxy-3,3-dideuteropropyl)-3,5-di(acetoxy)cyclopentyl)-6-acetoxy-6-deuterooctanoic acid methyl ester
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Formula C25H37D3O10
InChI InChI=1S/C25H40O10/c1-16(26)32-14-8-10-21-22(24(35-19(4)29)15-23(21)34-18(3)28)13-12-20(33-17(2)27)9-6-7-11-25(30)31-5/h20-24H,6-15H2,1-5H3/i14D2,20D
InChIKey VSDLRYOEWIMKJK-SBTRAQGWSA-N
Molecular Weight 503.603 g/mol
SMILES C1(C(C(CCC(OC(=O)C)([2D])[2D])C(C1)OC(=O)C)CCC(OC(=O)C)(CCCCC(=O)OC)[2D])OC(=O)C
SPLASH splash10-074j-4943000000-51e920f2cd4ea2493ec4
Source of Spectrum B3-0-490-2
Wiley ID 1398834