| SpectraBase Compound ID | KxkO16Sw8bl |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(2)6-9-23(29)17(3)25-24(30)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | MXVADBXVPOEEOT-JKZRSBDYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDUpbZYofMm |
|---|---|
| Name | 16(S),22(S)-DIHYDROXYCHOLEST-4-EN-3-ONE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(2)6-9-23(29)17(3)25-24(30)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | MXVADBXVPOEEOT-JKZRSBDYSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,41,907(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00622-2 |
| Molecular Weight | 416.645 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4142 |