![7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE](/api/spectrum/2jcrdLjR83M/structure.png?h=300&w=458 "7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE")
| SpectraBase Compound ID | 8MlbcjvdvHk |
|---|---|
| InChI | InChI=1S/C82H111Cl3O13/c1-54(27-33-74(87)93-49-82(83,84)85)64-29-31-67-77-69(44-73(80(64,67)5)97-53-92-48-59-25-17-10-18-26-59)79(4)38-36-63(40-61(79)42-71(77)95-51-90-46-57-21-13-8-14-22-57)98-75(88)34-28-55(2)65-30-32-66-76-68(43-72(81(65,66)6)96-52-91-47-58-23-15-9-16-24-58)78(3)37-35-62(86)39-60(78)41-70(76)94-50-89-45-56-19-11-7-12-20-56/h7-26,54-55,60-73,76-77,86H,27-53H2,1-6H3/t54?,55?,60?,61?,62-,63+,64-,65-,66?,67?,68+,69-,70-,71+,72+,73-,76-,77-,78+,79-,80+,81-/m0/s1 |
| InChIKey | SWAHDEWILOFLOE-FYJOAMGVSA-N |
| Mol Weight | 1411.1 g/mol |
| Molecular Formula | C82H111Cl3O13 |
| Exact Mass | 1408.709027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jcrdLjR83M |
|---|---|
| Name | 7,12-BIS-[(BENZYLOXY)-METHOXY]-24-OXO-24-2,2,2-TRICHLOROETHOXY)-CHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H111Cl3O13 |
| InChI | InChI=1S/C82H111Cl3O13/c1-54(27-33-74(87)93-49-82(83,84)85)64-29-31-67-77-69(44-73(80(64,67)5)97-53-92-48-59-25-17-10-18-26-59)79(4)38-36-63(40-61(79)42-71(77)95-51-90-46-57-21-13-8-14-22-57)98-75(88)34-28-55(2)65-30-32-66-76-68(43-72(81(65,66)6)96-52-91-47-58-23-15-9-16-24-58)78(3)37-35-62(86)39-60(78)41-70(76)94-50-89-45-56-19-11-7-12-20-56/h7-26,54-55,60-73,76-77,86H,27-53H2,1-6H3/t54?,55?,60?,61?,62-,63+,64-,65-,66?,67?,68+,69-,70-,71+,72+,73-,76-,77-,78+,79-,80+,81-/m0/s1 |
| InChIKey | SWAHDEWILOFLOE-FYJOAMGVSA-N |
| Literature Reference Author | P.A.BRADY,J.K.M.SANDERS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3237(1997) |
| Literature Reference DOI | 10.1039/a703390g |
| Molecular Weight | 1411.135 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12140 |