SpectraBase Compound ID | 7r15INJBn7A |
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InChI | InChI=1S/C44H52N4O12S4/c1-41(2,3)57-37(53)25-13-21-17-30(50)46-34-27(39(55)59-43(7,8)9)15-23(63-34)19-32(52)48-36-28(40(56)60-44(10,11)12)16-24(64-36)20-31(51)47-35-26(38(54)58-42(4,5)6)14-22(62-35)18-29(49)45-33(25)61-21/h13-16H,17-20H2,1-12H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52) |
InChIKey | HPGDPQAZQMLELN-UHFFFAOYSA-N |
Mol Weight | 957.2 g/mol |
Molecular Formula | C44H52N4O12S4 |
Exact Mass | 956.246458 g/mol |
SpectraBase Spectrum ID | 1vFbtS3zkUd |
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Name | HPGDPQAZQMLELN-UHFFFAOYSA-N |
Compound Number | 14 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C44H52N4O12S4 |
InChI | InChI=1S/C44H52N4O12S4/c1-41(2,3)57-37(53)25-13-21-17-30(50)46-34-27(39(55)59-43(7,8)9)15-23(63-34)19-32(52)48-36-28(40(56)60-44(10,11)12)16-24(64-36)20-31(51)47-35-26(38(54)58-42(4,5)6)14-22(62-35)18-29(49)45-33(25)61-21/h13-16H,17-20H2,1-12H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52) |
InChIKey | HPGDPQAZQMLELN-UHFFFAOYSA-N |
Literature Reference Author | H.OEZBEK,D.LENTZ,H.U.REISSIG |
Literature Reference Citation | EUR.J.ORG.CHEM.,2010,6319(2010) |
Literature Reference DOI | 10.1002/ejoc.201001066 |
Molecular Weight | 957.156 g/mol |
Solvent | CDCl3 |
Source File Reference | UWLU85744 |