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

SpectraBase Compound ID	CCPhCvQDkIP
InChI	InChI=1S/C30H42N4OS.C4H6O6/c1-35-23-9-10-27-25(16-23)28(24-7-3-4-8-26(24)33-27)31-11-5-2-6-12-32-29(36)34-30-17-20-13-21(18-30)15-22(14-20)19-30;5-1(3(7)8)2(6)4(9)10/h9-10,16,20-22H,2-8,11-15,17-19H2,1H3,(H,31,33)(H2,32,34,36);1-2,5-6H,(H,7,8)(H,9,10)/t20-,21+,22-,30-;
InChIKey	CLLGWTARLWTGTP-VVHHREQTSA-N Google Search
Mol Weight	656.8 g/mol
Molecular Formula	C34H48N4O7S
Exact Mass	656.324371 g/mol

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SpectraBase Spectrum ID	5TBrNkoNcmB
Name	1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-PENTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE
Compound Number	14
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C34H48N4O7S
InChI	InChI=1S/C30H42N4OS.C4H6O6/c1-35-23-9-10-27-25(16-23)28(24-7-3-4-8-26(24)33-27)31-11-5-2-6-12-32-29(36)34-30-17-20-13-21(18-30)15-22(14-20)19-30;5-1(3(7)8)2(6)4(9)10/h9-10,16,20-22H,2-8,11-15,17-19H2,1H3,(H,31,33)(H2,32,34,36);1-2,5-6H,(H,7,8)(H,9,10)/t20-,21+,22-,30-;
InChIKey	CLLGWTARLWTGTP-VVHHREQTSA-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	656.838 g/mol
Solvent	DMSO-D6
Source File Reference	UWBT8826