| SpectraBase Compound ID | 84JalOb1Fou |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | XGBHFLNWQIPOQW-JNDVAAQDSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T4PIEyTEEW |
|---|---|
| Name | 5-ALPHA-CHOLESTAN-3-BETA-5-DIOL-3-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | XGBHFLNWQIPOQW-JNDVAAQDSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 446.714 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW3429 |