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#21;MAJOR-ISOMER;ETHYL-(1R,8R,10S)-10-ACETOXYMETHYL-13-(BUT-3-EN-YL)-12-OXO-3-OXA-14-THIA-11-AZA-TETRACYCLO-[6.6.0.0(1,11).0(2,6)]-TETRADECA-2(6),4-DIENE-8-CAR
SpectraBase Compound ID DjzggAagYLm
InChI InChI=1S/C21H25NO6S/c1-4-6-7-16-18(24)22-15(12-28-13(3)23)11-20(19(25)26-5-2)10-14-8-9-27-17(14)21(20,22)29-16/h4,8-9,15-16H,1,5-7,10-12H2,2-3H3/t15-,16?,20+,21-/m0/s1
InChIKey MDSLSSJTWAVFRM-TTWORVJVSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4IrYbUCy9c
Name #21;MAJOR-ISOMER;ETHYL-(1R,8R,10S)-10-ACETOXYMETHYL-13-(BUT-3-EN-YL)-12-OXO-3-OXA-14-THIA-11-AZA-TETRACYCLO-[6.6.0.0(1,11).0(2,6)]-TETRADECA-2(6),4-DIENE-8-CAR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-4-6-7-16-18(24)22-15(12-28-13(3)23)11-20(19(25)26-5-2)10-14-8-9-27-17(14)21(20,22)29-16/h4,8-9,15-16H,1,5-7,10-12H2,2-3H3/t15-,16?,20+,21-/m0/s1
InChIKey MDSLSSJTWAVFRM-TTWORVJVSA-N
Literature Reference Author J.K.CHAVDA,P.A.PROCOPIOU,P.N.HORTON,S.J.COLES,M.J.PORTER
Literature Reference Citation EUR.J.ORG.CHEM.,2014,129(2014)
Literature Reference DOI 10.1002/ejoc.201301063
Molecular Weight 419.493 g/mol
Solvent CDCl3
Source File Reference UWIR18175