| SpectraBase Compound ID | 9d1S5eIG4zB |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h15-16,19-23,25,29H,6-14H2,1-5H3/t16-,19+,20-,21+,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | UMBOAZAPHYERNA-IKLQUBQNSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuVuy3fyN55 |
|---|---|
| Name | 3-ACETOXY-7-HYDROXY-METHYL-5-BETA-CHOL-5(6)-ENOATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h15-16,19-23,25,29H,6-14H2,1-5H3/t16-,19+,20-,21+,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | UMBOAZAPHYERNA-IKLQUBQNSA-N |
| Literature Reference Author | T.IIDA,J.GOTO,T.NAMBARA |
| Literature Reference Citation | MAGN.RES.CHEM.,31,421(1993) |
| Literature Reference DOI | 10.1002/mrc.1260310423 |
| Molecular Weight | 446.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR168 |