John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5Wkpwi4fo5R SpectraBase Spectrum ID=10RT6DsLPNA

(accessed ).
1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-OCTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE
SpectraBase Compound ID 5Wkpwi4fo5R
InChI InChI=1S/C33H48N4OS.C4H6O6/c1-38-26-12-13-30-28(19-26)31(27-10-6-7-11-29(27)36-30)34-14-8-4-2-3-5-9-15-35-32(39)37-33-20-23-16-24(21-33)18-25(17-23)22-33;5-1(3(7)8)2(6)4(9)10/h12-13,19,23-25H,2-11,14-18,20-22H2,1H3,(H,34,36)(H2,35,37,39);1-2,5-6H,(H,7,8)(H,9,10)/t23-,24+,25-,33-;
InChIKey OCSGBIAJMMXVLB-XAXNNJSSSA-N
Mol Weight 698.9 g/mol
Molecular Formula C37H54N4O7S
Exact Mass 698.371322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10RT6DsLPNA
Name 1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-OCTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE
Compound Number 17
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H54N4O7S
InChI InChI=1S/C33H48N4OS.C4H6O6/c1-38-26-12-13-30-28(19-26)31(27-10-6-7-11-29(27)36-30)34-14-8-4-2-3-5-9-15-35-32(39)37-33-20-23-16-24(21-33)18-25(17-23)22-33;5-1(3(7)8)2(6)4(9)10/h12-13,19,23-25H,2-11,14-18,20-22H2,1H3,(H,34,36)(H2,35,37,39);1-2,5-6H,(H,7,8)(H,9,10)/t23-,24+,25-,33-;
InChIKey OCSGBIAJMMXVLB-XAXNNJSSSA-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 698.918 g/mol
Solvent DMSO-D6
Source File Reference UWBT8829
SpectraBase Batch ID 56OD9vakEzS