![10,10-SPIRO-[CYCLOHEXYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA](/api/spectrum/DNydQRoFSsW/structure.png?h=300&w=458 "10,10-SPIRO-[CYCLOHEXYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA")
| SpectraBase Compound ID | 2qYew9cmOVM |
|---|---|
| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNydQRoFSsW |
|---|---|
| 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 | DMSO-D6 |
| Source File Reference | UWMZ11975 |