| SpectraBase Compound ID | ICQhA8oDEVN |
|---|---|
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17?,21-,22+,23+,24-,25-,26+,27-,29-,30-,31+/m0/s1 |
| InChIKey | VTBGQCBIQJMJJZ-HAQZNTNCSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C31H48O8 |
| Exact Mass | 548.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcuWmjUeomM |
|---|---|
| Name | METHYL-3,7,12-TRIACETYLCHOLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O8 |
| InChI | InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17?,21-,22+,23+,24-,25-,26+,27-,29-,30-,31+/m0/s1 |
| InChIKey | VTBGQCBIQJMJJZ-HAQZNTNCSA-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 | 548.717 g/mol |
| Solvent | CH2Cl2 |
| Source File Reference | UNIW11467 |