| SpectraBase Compound ID | 9uLcBfcfH7s |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(30)27(31)15-23(29)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,25-,26-,27+/m1/s1 |
| InChIKey | KGDATIYAPDSOHB-FESAEEERSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCZ4ChNfDTf |
|---|---|
| Name | 2-BETA,3-BETA,5-TRIHYDROXY-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-24(30)27(31)15-23(29)22(28)14-26(27,5)21(18)11-12-25(19,20)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,25-,26-,27+/m1/s1 |
| InChIKey | KGDATIYAPDSOHB-FESAEEERSA-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 | 434.660 g/mol |
| Sample ID | 70591 |
| Solvent | DMSO-D6 |