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#3C;(-)-(6AR,7R,10S,10AS,10BR)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10,10A,10B-HEXAHYDR

View entire compound with spectra: 1 NMR

#3C;(-)-(6AR,7R,10S,10AS,10BR)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10,10A,10B-HEXAHYDR
SpectraBase Compound ID IhfpStfkGFR
InChI InChI=1S/C23H31NO4S/c1-20(2)15-7-9-21(20,17(25)12-15)13-29(28)23-16-6-5-14(11-16)18(23)22(27)8-3-4-10-24(22)19(23)26/h3-6,14-18,25,27H,7-13H2,1-2H3/t14-,15+,16+,17+,18+,21+,22-,23-,29?/m1/s1
InChIKey WOQKDQDZEUYSCU-SMUXWNNASA-N
Mol Weight 417.56 g/mol
Molecular Formula C23H31NO4S
Exact Mass 417.19738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8s1FaIuNbRd
Name #3C;(-)-(6AR,7R,10S,10AS,10BR)-10B-HYDROXY-6A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-1,6A,7,10,10A,10B-HEXAHYDR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO4S
InChI InChI=1S/C23H31NO4S/c1-20(2)15-7-9-21(20,17(25)12-15)13-29(28)23-16-6-5-14(11-16)18(23)22(27)8-3-4-10-24(22)19(23)26/h3-6,14-18,25,27H,7-13H2,1-2H3/t14-,15+,16+,17+,18+,21+,22-,23-,29?/m1/s1
InChIKey WOQKDQDZEUYSCU-SMUXWNNASA-N
Literature Reference Author A.GOMEZ-SANJUAN,N.SOTOMAYOR,E.LETE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6722(2013)
Literature Reference DOI 10.1002/ejoc.201300889
Molecular Weight 417.563 g/mol
Solvent CDCl3
Source File Reference UWBT18481