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(1'R,2'R/S,4S,5R)-4-(1-Acetoxy-2-phenylselenylpentadecanyl)-5-acetoxy-2,2-dimethyl[1,3]dioxane
SpectraBase Compound ID f0rTTGsxXq
InChI InChI=1S/C31H50O6Se/c1-6-7-8-9-10-11-12-13-14-15-19-22-28(38-26-20-17-16-18-21-26)30(36-25(3)33)29-27(35-24(2)32)23-34-31(4,5)37-29/h16-18,20-21,27-30H,6-15,19,22-23H2,1-5H3/t27-,28?,29+,30+/m1/s1
InChIKey MBQADQOFWYYWBB-WAUMYRHTSA-N
Mol Weight 597.7 g/mol
Molecular Formula C31H50O6Se
Exact Mass 598.277261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lunpEQGpyo
Name (1'R,2'R/S,4S,5R)-4-(1-Acetoxy-2-phenylselenylpentadecanyl)-5-acetoxy-2,2-dimethyl[1,3]dioxane
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Formula C31H50O6Se
InChI InChI=1S/C31H50O6Se/c1-6-7-8-9-10-11-12-13-14-15-19-22-28(38-26-20-17-16-18-21-26)30(36-25(3)33)29-27(35-24(2)32)23-34-31(4,5)37-29/h16-18,20-21,27-30H,6-15,19,22-23H2,1-5H3/t27-,28?,29+,30+/m1/s1
InChIKey MBQADQOFWYYWBB-WAUMYRHTSA-N
Molecular Weight 597.707 g/mol
SMILES [C@@]1([C@](C([Se]c2ccccc2)CCCCCCCCCCCCC)(OC(=O)C)[H])(OC(C)(C)OC[C@]1(OC(=O)C)[H])[H]
SPLASH splash10-0006-9000230000-9e933e83267f4d456a08
Source of Spectrum QE-1-385-7
Synonyms (1R)-1-[(4S,5R)-5-(acetyloxy)-2,2-dimethyl-1,3-dioxan-4-yl]-2-(phenylselanyl)pentadecyl acetate
Wiley ID 842419