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#10;(+)-(3R,3AS,4S,7R,7AR)-2,3-DIALLYL-3-HYDROXY-7A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-2,3,3A,4,7,7A-HEXAHY

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#10;(+)-(3R,3AS,4S,7R,7AR)-2,3-DIALLYL-3-HYDROXY-7A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-2,3,3A,4,7,7A-HEXAHY
SpectraBase Compound ID 7Xe6xxaEumh
InChI InChI=1S/C25H35NO4S/c1-5-10-24(29)20-16-7-8-18(13-16)25(20,21(28)26(24)12-6-2)31(30)15-23-11-9-17(14-19(23)27)22(23,3)4/h5-8,16-20,27,29H,1-2,9-15H2,3-4H3/t16-,17+,18+,19+,20+,23+,24-,25-,31?/m1/s1
InChIKey FKXIRXQVSPCXAY-SIQVQLIGSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H35NO4S
Exact Mass 445.22868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMCgzDWXRBv
Name #10;(+)-(3R,3AS,4S,7R,7AR)-2,3-DIALLYL-3-HYDROXY-7A-[(R)-[[(1R,2R,4R)-2-HYDROXY-7,7-DIMETHYLBICYCLO-[2.2.1]-HEPTAN-1-YL]-METHYL]-SULFINYL]-2,3,3A,4,7,7A-HEXAHY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35NO4S
InChI InChI=1S/C25H35NO4S/c1-5-10-24(29)20-16-7-8-18(13-16)25(20,21(28)26(24)12-6-2)31(30)15-23-11-9-17(14-19(23)27)22(23,3)4/h5-8,16-20,27,29H,1-2,9-15H2,3-4H3/t16-,17+,18+,19+,20+,23+,24-,25-,31?/m1/s1
InChIKey FKXIRXQVSPCXAY-SIQVQLIGSA-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 445.617 g/mol
Solvent CDCl3
Source File Reference UWBT18480