| SpectraBase Compound ID | 3tJTFJuQ5Wj |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17?,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1 |
| InChIKey | DESKMGPXRKEZPC-VFGPXDQCSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C29H46O6 |
| Exact Mass | 490.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUqmlm4vaki |
|---|---|
| Name | METHYL-3,12-DIACETYLDESOXYCHOLATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O6 |
| InChI | InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17?,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1 |
| InChIKey | DESKMGPXRKEZPC-VFGPXDQCSA-N |
| Literature Reference Author | D.LEIBFRITZ,J.D.ROBERTS |
| Literature Reference Citation | J.AM.CHEM.SOC.,95,4996(1973) |
| Literature Reference DOI | 10.1021/ja00796a036 |
| Molecular Weight | 490.681 g/mol |
| Solvent | CH2Cl2 |
| Source File Reference | UNIW11464 |