| SpectraBase Compound ID | EenJEH4lfxG |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | SJZZRXMQSAXCFD-ZCBMJONGSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Qg9xp3yPyn |
|---|---|
| Name | 3-BETA,5-DIHYDROXY-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | SJZZRXMQSAXCFD-ZCBMJONGSA-N |
| Literature Reference Author | A.ROSADO-ABON,G.D.DIOS-BRAVO,R.RODRIGUEZ-SOTRES,M.A.IGLESIAS -ARTEAGA |
| Literature Reference Citation | STEROIDS,77,461(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.01.004 |
| Molecular Weight | 418.660 g/mol |
| Sample ID | 70588 |
| Solvent | CDCl3 |