SpectraBase Compound ID | JEiaOHIOf8F |
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InChI | InChI=1S/C26H42N12O3/c1-26(14-30-23(39)27-8-5-20-11-36(2)17-33-20,15-31-24(40)28-9-6-21-12-37(3)18-34-21)16-32-25(41)29-10-7-22-13-38(4)19-35-22/h11-13,17-19H,5-10,14-16H2,1-4H3,(H2,27,30,39)(H2,28,31,40)(H2,29,32,41) |
InChIKey | YIQQCIAYAKNDFH-UHFFFAOYSA-N |
Mol Weight | 570.7 g/mol |
Molecular Formula | C26H42N12O3 |
Exact Mass | 570.350283 g/mol |
SpectraBase Spectrum ID | I9TTBaNtc50 |
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Name | PODAND-#1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C26H42N12O3 |
InChI | InChI=1S/C26H42N12O3/c1-26(14-30-23(39)27-8-5-20-11-36(2)17-33-20,15-31-24(40)28-9-6-21-12-37(3)18-34-21)16-32-25(41)29-10-7-22-13-38(4)19-35-22/h11-13,17-19H,5-10,14-16H2,1-4H3,(H2,27,30,39)(H2,28,31,40)(H2,29,32,41) |
InChIKey | YIQQCIAYAKNDFH-UHFFFAOYSA-N |
Literature Reference Author | R.JAIRAM,P.G.POTVIN |
Literature Reference Citation | J.ORG.CHEM.,57,4136(1992) |
Literature Reference DOI | 10.1021/jo00041a016 |
Molecular Weight | 570.698 g/mol |
Solvent | D2O |
Source File Reference | UWCS2363 |