![1-ADAMANTYL-3-[2-(7-METHOXY-1,2,3,4-TETRAHYDROACRIDIN-9-YL-AMINO)-OCTYL]-THIOUREA-2,3-DIHYDROXYSUCCINATE](/api/spectrum/10RT6DsLPNA/structure.png?h=300&w=458 "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 | 698.371321 g/mol |
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 © 2016-2024 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 |