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(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-hexakis[(2'-(butanoyloxy)ethyl]cyclohexane
SpectraBase Compound ID 48JjbtFl29g
InChI InChI=1S/C42H72O12/c1-7-13-37(43)49-25-19-31-32(20-26-50-38(44)14-8-2)34(22-28-52-40(46)16-10-4)36(24-30-54-42(48)18-12-6)35(23-29-53-41(47)17-11-5)33(31)21-27-51-39(45)15-9-3/h31-36H,7-30H2,1-6H3/t31-,32-,33+,34+,35-,36-
InChIKey YRKXADGYTYCTFP-SFSFLPEXSA-N
Mol Weight 769.0 g/mol
Molecular Formula C42H72O12
Exact Mass 768.502378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TyNj8sg91q
Name (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.,6.beta.)-hexakis[(2'-(butanoyloxy)ethyl]cyclohexane
CAS Registry Number 135191-22-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H72O12
InChI InChI=1S/C42H72O12/c1-7-13-37(43)49-25-19-31-32(20-26-50-38(44)14-8-2)34(22-28-52-40(46)16-10-4)36(24-30-54-42(48)18-12-6)35(23-29-53-41(47)17-11-5)33(31)21-27-51-39(45)15-9-3/h31-36H,7-30H2,1-6H3/t31-,32-,33+,34+,35-,36-
InChIKey YRKXADGYTYCTFP-SFSFLPEXSA-N
Molecular Weight 769.026 g/mol
SMILES [C@]1([C@@]([C@@](CCOC(=O)CCC)([C@@]([C@]([C@@]1(CCOC(=O)CCC)[H])(CCOC(=O)CCC)[H])(CCOC(=O)CCC)[H])[H])(CCOC(=O)CCC)[H])(CCOC(=O)CCC)[H]
SPLASH splash10-00di-9000000000-787af4c86f59ff5b4b0e
Source of Spectrum K-124-2528-18
Synonyms 2-{2,3,4,5,6-pentakis[2-(butyryloxy)ethyl]cyclohexyl}ethyl butyrate
Wiley ID 1416685