| SpectraBase Compound ID | 5ZpT5EmWaih |
|---|---|
| InChI | InChI=1S/C96H152O8/c1-57-13-33-85(97)101-65-37-45-90(6)62(53-65)18-22-70-78-30-26-74(94(78,10)50-42-82(70)90)59(3)15-35-87(99)103-67-39-47-92(8)64(55-67)20-24-72-80-32-28-76(96(80,12)52-44-84(72)92)60(4)16-36-88(100)104-68-40-48-91(7)63(56-68)19-23-71-79-31-27-75(95(79,11)51-43-83(71)91)58(2)14-34-86(98)102-66-38-46-89(5)61(54-66)17-21-69-77-29-25-73(57)93(77,9)49-41-81(69)89/h57-84H,13-56H2,1-12H3/t57?,58?,59?,60?,61-,62-,63-,64-,65-,66-,67-,68-,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,89+,90+,91+,92+,93-,94-,95-,96-/m1/s1 |
| InChIKey | WRZNZGVDXITEMN-DQGAECEASA-N |
| Mol Weight | 1434.3 g/mol |
| Molecular Formula | C96H152O8 |
| Exact Mass | 1433.148722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IGwCIde8ey |
|---|---|
| Name | TETRAKIS-CYClOLITHOCHOLATE |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H152O8 |
| InChI | InChI=1S/C96H152O8/c1-57-13-33-85(97)101-65-37-45-90(6)62(53-65)18-22-70-78-30-26-74(94(78,10)50-42-82(70)90)59(3)15-35-87(99)103-67-39-47-92(8)64(55-67)20-24-72-80-32-28-76(96(80,12)52-44-84(72)92)60(4)16-36-88(100)104-68-40-48-91(7)63(56-68)19-23-71-79-31-27-75(95(79,11)51-43-83(71)91)58(2)14-34-86(98)102-66-38-46-89(5)61(54-66)17-21-69-77-29-25-73(57)93(77,9)49-41-81(69)89/h57-84H,13-56H2,1-12H3/t57?,58?,59?,60?,61-,62-,63-,64-,65-,66-,67-,68-,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,89+,90+,91+,92+,93-,94-,95-,96-/m1/s1 |
| InChIKey | WRZNZGVDXITEMN-DQGAECEASA-N |
| Literature Reference Author | K.LAPPALAINEN,E.KOLEHMAINEN,J.KOTONEVA |
| Literature Reference Citation | MAGN.RES.CHEM.,34,316(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199604)34:4<316::aid-omr857>3.0.co;2-z |
| Molecular Weight | 1434.258 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK3762 |