![METHYL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE](/api/spectrum/C0aHLW4G3K9/structure.png?h=300&w=458 "METHYL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE")
| SpectraBase Compound ID | 1wnpOP4M9iY |
|---|---|
| InChI | InChI=1S/C41H58O7/c1-28(15-18-38(43)44-4)33-16-17-34-39-35(23-37(41(33,34)3)48-27-46-25-30-13-9-6-10-14-30)40(2)20-19-32(42)21-31(40)22-36(39)47-26-45-24-29-11-7-5-8-12-29/h5-14,28,31-37,39,42H,15-27H2,1-4H3/t28?,31?,32-,33+,34?,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | JHZYLOMYVIRPML-IMMHDZNOSA-N |
| Mol Weight | 662.9 g/mol |
| Molecular Formula | C41H58O7 |
| Exact Mass | 662.418254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0aHLW4G3K9 |
|---|---|
| Name | METHYL-7,12-BIS-[(BENZYLOXY)-METHOXY]-3-HYDROXYCHOLANOATE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O7 |
| InChI | InChI=1S/C41H58O7/c1-28(15-18-38(43)44-4)33-16-17-34-39-35(23-37(41(33,34)3)48-27-46-25-30-13-9-6-10-14-30)40(2)20-19-32(42)21-31(40)22-36(39)47-26-45-24-29-11-7-5-8-12-29/h5-14,28,31-37,39,42H,15-27H2,1-4H3/t28?,31?,32-,33+,34?,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | JHZYLOMYVIRPML-IMMHDZNOSA-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 | 662.907 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12135 |