| SpectraBase Compound ID | KVOuLMp32W0 |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,27?,28?,29+/m1/s1 |
| InChIKey | QEDZDAWIPDLZAN-MTLSNVJJSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFHoZwkfBR6 |
|---|---|
| Name | 3-BETA-ACETOXY-5-ALPHA-HYDROXY-CHOLESTAN-6-ONE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,27?,28?,29+/m1/s1 |
| InChIKey | QEDZDAWIPDLZAN-MTLSNVJJSA-N |
| Literature Reference Author | N.DEIVE,J.RODRIGUEZ,C.JIMENEZ |
| Literature Reference Citation | J.MED.CHEM.,44,2612(2001) |
| Literature Reference DOI | 10.1021/jm010867n |
| Molecular Weight | 460.698 g/mol |
| Sample ID | 44663 |
| Solvent | CDCl3 |