| SpectraBase Compound ID | 5b7ZNdp2nTx |
|---|---|
| InChI | InChI=1S/C44H62O9/c1-8-50-42(46)53-34-21-22-43(3)31(23-34)24-38(51-26-29-10-14-32(47-5)15-11-29)41-36-19-18-35(28(2)9-20-40(45)49-7)44(36,4)39(25-37(41)43)52-27-30-12-16-33(48-6)17-13-30/h10-17,28,31,34-39,41H,8-9,18-27H2,1-7H3/t28?,31-,34-,35+,36+,37+,38-,39+,41+,43+,44-/m1/s1 |
| InChIKey | JWIUOEOOFFDIHI-MGUMFRFLSA-N |
| Mol Weight | 735.0 g/mol |
| Molecular Formula | C44H62O9 |
| Exact Mass | 734.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCKtJHCgFNQ |
|---|---|
| Name | METHYL-3-ETHOXYCARBONYL-7,12-BIS-(4-METHOXYBENZYLOXY)-CHOLANOATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62O9 |
| InChI | InChI=1S/C44H62O9/c1-8-50-42(46)53-34-21-22-43(3)31(23-34)24-38(51-26-29-10-14-32(47-5)15-11-29)41-36-19-18-35(28(2)9-20-40(45)49-7)44(36,4)39(25-37(41)43)52-27-30-12-16-33(48-6)17-13-30/h10-17,28,31,34-39,41H,8-9,18-27H2,1-7H3/t28?,31-,34-,35+,36+,37+,38-,39+,41+,43+,44-/m1/s1 |
| InChIKey | JWIUOEOOFFDIHI-MGUMFRFLSA-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 | 734.971 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12128 |