![7,12-BIS-[(BENZYLOXY)-METHOXY]-24-HYDROXY-24-OXOCHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE](/api/spectrum/BxdAmm9e4FR/structure.png?h=300&w=458 "7,12-BIS-[(BENZYLOXY)-METHOXY]-24-HYDROXY-24-OXOCHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE")
| SpectraBase Compound ID | 2IuuAMYrmfI |
|---|---|
| InChI | InChI=1S/C80H110O13/c1-53(27-33-73(82)83)63-29-31-66-76-68(44-72(79(63,66)5)92-52-88-48-58-25-17-10-18-26-58)78(4)38-36-62(40-60(78)42-70(76)90-50-86-46-56-21-13-8-14-22-56)93-74(84)34-28-54(2)64-30-32-65-75-67(43-71(80(64,65)6)91-51-87-47-57-23-15-9-16-24-57)77(3)37-35-61(81)39-59(77)41-69(75)89-49-85-45-55-19-11-7-12-20-55/h7-26,53-54,59-72,75-76,81H,27-52H2,1-6H3,(H,82,83)/t53?,54?,59?,60?,61-,62+,63-,64+,65?,66?,67+,68-,69-,70+,71+,72-,75+,76-,77+,78-,79+,80-/m0/s1 |
| InChIKey | FILASSRHBYKLJV-WLBZSTEUSA-N |
| Mol Weight | 1279.7 g/mol |
| Molecular Formula | C80H110O13 |
| Exact Mass | 1278.794644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxdAmm9e4FR |
|---|---|
| Name | 7,12-BIS-[(BENZYLOXY)-METHOXY]-24-HYDROXY-24-OXOCHOLAN-3-YL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H110O13 |
| InChI | InChI=1S/C80H110O13/c1-53(27-33-73(82)83)63-29-31-66-76-68(44-72(79(63,66)5)92-52-88-48-58-25-17-10-18-26-58)78(4)38-36-62(40-60(78)42-70(76)90-50-86-46-56-21-13-8-14-22-56)93-74(84)34-28-54(2)64-30-32-65-75-67(43-71(80(64,65)6)91-51-87-47-57-23-15-9-16-24-57)77(3)37-35-61(81)39-59(77)41-69(75)89-49-85-45-55-19-11-7-12-20-55/h7-26,53-54,59-72,75-76,81H,27-52H2,1-6H3,(H,82,83)/t53?,54?,59?,60?,61-,62+,63-,64+,65?,66?,67+,68-,69-,70+,71+,72-,75+,76-,77+,78-,79+,80-/m0/s1 |
| InChIKey | FILASSRHBYKLJV-WLBZSTEUSA-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 | 1279.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12141 |