| SpectraBase Compound ID | CwltETz4ld7 |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-20(16-28)24-15-19(29)11-13-27(24,5)23(25)12-14-26(21,22)4/h16-19,21-23,25,29H,6-15H2,1-5H3/t18-,19+,21-,22+,23+,25+,26-,27-/m1/s1 |
| InChIKey | YFFIGAINEQISSL-DQGOXJFYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | l9zH4AeiFv |
|---|---|
| Name | 3-BETA-HYDROXY-6-BETA-FORMYL-B-NOR-CHOLEST-5-ENE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-20(16-28)24-15-19(29)11-13-27(24,5)23(25)12-14-26(21,22)4/h16-19,21-23,25,29H,6-15H2,1-5H3/t18-,19+,21-,22+,23+,25+,26-,27-/m1/s1 |
| InChIKey | YFFIGAINEQISSL-DQGOXJFYSA-N |
| Literature Reference Author | C.GAN,L.FAN,J.CUI,Y.HUANG,Y.JIAO,W.WEI |
| Literature Reference Citation | STEROIDS,77,1061(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.05.005 |
| Molecular Weight | 400.645 g/mol |
| Sample ID | 70666 |
| Solvent | CDCl3 |