| SpectraBase Compound ID | 4rGdxoKXgrr |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17?,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | DVIUCIPCTDVQAP-WHAJNICWSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mEu2DPHs82 |
|---|---|
| Name | METHYL-3-ACETYLLITHOCHOLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17?,19-,20-,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | DVIUCIPCTDVQAP-WHAJNICWSA-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 | 432.644 g/mol |
| Solvent | CH2Cl2 |
| Source File Reference | UNIW11457 |