| SpectraBase Compound ID | DxaRG74XC7h |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28,30-31H,5-12,14-15H2,1-4H3/t16-,17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | WTHGALCYJGSRNA-FMATVNFWSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 109pOrBasVT |
|---|---|
| Name | (25S),16(S),22(S),26-TRIHYDROXYCHOLEST-4-EN-3-ONE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h13,16-17,20-25,28,30-31H,5-12,14-15H2,1-4H3/t16-,17-,20?,21?,22?,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | WTHGALCYJGSRNA-FMATVNFWSA-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 | 432.644 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4143 |