1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-ETHYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE

SpectraBase Compound ID	HjwAYK9Rt57
InChI	InChI=1S/C27H36N4OS.C4H6O6/c1-32-20-6-7-24-22(13-20)25(21-4-2-3-5-23(21)30-24)28-8-9-29-26(33)31-27-14-17-10-18(15-27)12-19(11-17)16-27;5-1(3(7)8)2(6)4(9)10/h6-7,13,17-19H,2-5,8-12,14-16H2,1H3,(H,28,30)(H2,29,31,33);1-2,5-6H,(H,7,8)(H,9,10)/t17-,18+,19-,27-;
InChIKey	LVOQEHWOYRPBGS-AGKGZHGKSA-N Google Search
Mol Weight	614.8 g/mol
Molecular Formula	C31H42N4O7S
Exact Mass	614.277421 g/mol

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SpectraBase Spectrum ID	9j3cHSItl96
Name	1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-ETHYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE
Compound Number	11
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C31H42N4O7S
InChI	InChI=1S/C27H36N4OS.C4H6O6/c1-32-20-6-7-24-22(13-20)25(21-4-2-3-5-23(21)30-24)28-8-9-29-26(33)31-27-14-17-10-18(15-27)12-19(11-17)16-27;5-1(3(7)8)2(6)4(9)10/h6-7,13,17-19H,2-5,8-12,14-16H2,1H3,(H,28,30)(H2,29,31,33);1-2,5-6H,(H,7,8)(H,9,10)/t17-,18+,19-,27-;
InChIKey	LVOQEHWOYRPBGS-AGKGZHGKSA-N
Literature Reference Author	K.SPILOVSKA,J.KORABECNY,J.KRAL,A.HOROVA,K.MUSILEK,O.SOUKUP,L .DRTINOVA,Z.GAZOVA,
Literature Reference Citation	MOLECULES,18,2397(2013)
Literature Reference DOI	10.3390/molecules18022397
Molecular Weight	614.757 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT8823