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IJNRBUDHIHKNCO-UHFFFAOYSA-N

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IJNRBUDHIHKNCO-UHFFFAOYSA-N
SpectraBase Compound ID rRYOX67UV9
InChI InChI=1S/C27H36O7S/c1-20-24(30-18-21-12-6-3-7-13-21)25(31-19-22-14-8-4-9-15-22)26(34-35(2,28)29)27(32-20)33-23-16-10-5-11-17-23/h3-4,6-9,12-15,20,23-27H,5,10-11,16-19H2,1-2H3
InChIKey IJNRBUDHIHKNCO-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C27H36O7S
Exact Mass 504.218175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82aryjQryci
Name IJNRBUDHIHKNCO-UHFFFAOYSA-N
CAS Registry Number 76251-66-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O7S
InChI InChI=1S/C27H36O7S/c1-20-24(30-18-21-12-6-3-7-13-21)25(31-19-22-14-8-4-9-15-22)26(34-35(2,28)29)27(32-20)33-23-16-10-5-11-17-23/h3-4,6-9,12-15,20,23-27H,5,10-11,16-19H2,1-2H3
InChIKey IJNRBUDHIHKNCO-UHFFFAOYSA-N
Literature Reference Author V.K.SRIVASTAVA,C.SCHUERCH
Literature Reference Citation J.ORG.CHEM.,46,1121(1981)
Literature Reference DOI 10.1021/jo00319a016
Molecular Weight 504.639 g/mol
Solvent D2O
Source File Reference UNIW22611