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(3A-ALPHA,4-ALPHA,5S*,6A-ALPHA)-(+/-)-4-METHYL-1-[[6-[TETRAHYDRO-2,2-DIMETHYL-5-(PHENYLSULFONYL)-5-(2-PROPENYL)-4H-CYCLOPENTA-1,3-DIOXOL-4-YL]-1,

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(3A-ALPHA,4-ALPHA,5S*,6A-ALPHA)-(+/-)-4-METHYL-1-[[6-[TETRAHYDRO-2,2-DIMETHYL-5-(PHENYLSULFONYL)-5-(2-PROPENYL)-4H-CYCLOPENTA-1,3-DIOXOL-4-YL]-1,
SpectraBase Compound ID 8xglgrRjr8d
InChI InChI=1S/2C31H36O9S/c2*1-5-11-30(41(32,33)21-9-7-6-8-10-21)15-25-27(40-28(2,3)39-25)26(30)22-13-24-23(34-19-35-24)12-20(22)14-31-36-16-29(4,17-37-31)18-38-31/h2*5-10,12-13,25-27H,1,11,14-19H2,2-4H3/t2*25-,26?,27-,29-,30-,31?/m11/s1
InChIKey RGLJRBAJFCARRF-ZNLXXMPUSA-N
Mol Weight 1169.4 g/mol
Molecular Formula C62H72O18S2
Exact Mass 1168.416008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ji8Vd2xVZF
Name (3A-ALPHA,4-ALPHA,5S*,6A-ALPHA)-(+/-)-4-METHYL-1-[[6-[TETRAHYDRO-2,2-DIMETHYL-5-(PHENYLSULFONYL)-5-(2-PROPENYL)-4H-CYCLOPENTA-1,3-DIOXOL-4-YL]-1,
Compound Number 24C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H72O18S2
InChI InChI=1S/2C31H36O9S/c2*1-5-11-30(41(32,33)21-9-7-6-8-10-21)15-25-27(40-28(2,3)39-25)26(30)22-13-24-23(34-19-35-24)12-20(22)14-31-36-16-29(4,17-37-31)18-38-31/h2*5-10,12-13,25-27H,1,11,14-19H2,2-4H3/t2*25-,26?,27-,29-,30-,31?/m11/s1
InChIKey RGLJRBAJFCARRF-ZNLXXMPUSA-N
Literature Reference Author T.P.BURKHOLDER,P.L.FUCHS
Literature Reference Citation J.AM.CHEM.SOC.,112,9601(1990)
Literature Reference DOI 10.1021/ja00182a019
Molecular Weight 1169.363 g/mol
Solvent C6D6
Source File Reference UWSI1161