SpectraBase Compound ID | 2qYew9cmOVM |
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InChI | InChI=1S/C40H52N4O6/c1-7-24-26(9-3)38(49)43-32(24)20-30-22(5)28(14-16-34(45)46)36(41-30)40(18-12-11-13-19-40)37-29(15-17-35(47)48)23(6)31(42-37)21-33-25(8-2)27(10-4)39(50)44-33/h20-21,41-42H,7-19H2,1-6H3,(H,43,49)(H,44,50)(H,45,46)(H,47,48)/b32-20-,33-21- |
InChIKey | DEVUHTGMSLNSJP-DBNHBIGRSA-N |
Mol Weight | 684.9 g/mol |
Molecular Formula | C40H52N4O6 |
Exact Mass | 684.388685 g/mol |
SpectraBase Spectrum ID | JLyzrSA2wCk |
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Name | 10,10-SPIRO-[CYCLOHEXYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C40H52N4O6 |
InChI | InChI=1S/C40H52N4O6/c1-7-24-26(9-3)38(49)43-32(24)20-30-22(5)28(14-16-34(45)46)36(41-30)40(18-12-11-13-19-40)37-29(15-17-35(47)48)23(6)31(42-37)21-33-25(8-2)27(10-4)39(50)44-33/h20-21,41-42H,7-19H2,1-6H3,(H,43,49)(H,44,50)(H,45,46)(H,47,48)/b32-20-,33-21- |
InChIKey | DEVUHTGMSLNSJP-DBNHBIGRSA-N |
Literature Reference Author | B.GHOSH,V.J.CATALANO,D.A.LIGHTNER |
Literature Reference Citation | MH.CHEM.,135,1305(2004) |
Literature Reference DOI | 10.1007/s00706-004-0216-4 |
Molecular Weight | 684.876 g/mol |
Solvent | CDCl3 |
Source File Reference | UWMZ11978 |