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#SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14

Compound with spectra: 1 NMR

#SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14
SpectraBase Compound ID 54NZgslFfxG
InChI InChI=1S/C35H40N4O3S2/c1-21-4-5-25(44-21)28(41)24-19-33-14-15-35(24)26(31(33,2)11-6-23(40)18-33)7-12-32(3)27(35)8-13-34(32,42)20-43-30-37-29(38-39-30)22-9-16-36-17-10-22/h4-5,9-10,14-17,19,23,26-27,40,42H,6-8,11-13,18,20H2,1-3H3,(H,37,38,39)/t23-,26+,27+,31+,32-,33-,34+,35+/m0/s1
InChIKey DDDYQIHJMICAGQ-KAKGHUSHSA-N
Mol Weight 628.9 g/mol
Molecular Formula C35H40N4O3S2
Exact Mass 628.254184 g/mol
Enantiomer InChIKey DDDYQIHJMICAGQ-QWOBARCGSA-N

View Spectrum of #SI-2;(1R,3S,6R,7R,10S,11S,14S,15R)-3,11-DIHYDROXY-6,10-DIMETHYL-11-[5-(4-PYRIDYL)-1H-[1,2,4]-TRIAZOL-3-YLTHIOMETHYL]-PENTACYCLO-[13.2.2.0(1,6).0(7,15).0(10,14

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Small-Molecule Diversity Using a Skeletal Transformation Strategy Organic Letters 2005
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