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METHYL-6-ALPHA,7-BETA-BIS-[METHYLTHIO-(THIOCARBONYL)-OXY]-VOUACAPAN-17-BETA-OATE
SpectraBase Compound ID BIj7a06rFmq
InChI InChI=1S/C25H34O5S4/c1-24(2)9-7-10-25(3)14-12-15-13(8-11-28-15)16(21(26)27-4)17(14)18(29-22(31)33-5)19(20(24)25)30-23(32)34-6/h8,11,14,16-20H,7,9-10,12H2,1-6H3/t14-,16+,17+,18+,19-,20-,25+/m0/s1
InChIKey JCCWWGMPSSGMQY-IXEPWTAZSA-N
Mol Weight 542.8 g/mol
Molecular Formula C25H34O5S4
Exact Mass 542.128909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2M4NmbQGEq
Name METHYL-6-ALPHA,7-BETA-BIS-[METHYLTHIO-(THIOCARBONYL)-OXY]-VOUACAPAN-17-BETA-OATE
CAS Registry Number 205034-31-7
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O5S4
InChI InChI=1S/C25H34O5S4/c1-24(2)9-7-10-25(3)14-12-15-13(8-11-28-15)16(21(26)27-4)17(14)18(29-22(31)33-5)19(20(24)25)30-23(32)34-6/h8,11,14,16-20H,7,9-10,12H2,1-6H3/t14-,16+,17+,18+,19-,20-,25+/m0/s1
InChIKey JCCWWGMPSSGMQY-IXEPWTAZSA-N
Literature Reference Author A.J.DEMUNER,L.C.A.BARBOSA,D.P.VELOSO,O.W.HOWARTH
Literature Reference Citation AUSTR.J.CHEM.,51,61(1998)
Literature Reference DOI 10.1071/C97062
Molecular Weight 542.782 g/mol
Solvent CDCl3