| SpectraBase Compound ID | 9ChXxIcVxqU |
|---|---|
| InChI | InChI=1S/C20H28O3S/c1-14-15(13-24(22,23)16-6-3-2-4-7-16)12-20-11-5-8-19(21)18(20)10-9-17(14)20/h2-4,6-7,14-15,17-19,21H,5,8-13H2,1H3/t14-,15-,17-,18+,19+,20+/m1/s1 |
| InChIKey | DQSODZABMIKJAM-XVMGYKCHSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C20H28O3S |
| Exact Mass | 348.175916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MA9xs2B6WB |
|---|---|
| Name | (22-R)-DE-A,B-18,22-CYCLO-8-HYDROXY-24-NORCHOLAN-23-PHENYLSULFONE |
| Compound Number | 1E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O3S |
| InChI | InChI=1S/C20H28O3S/c1-14-15(13-24(22,23)16-6-3-2-4-7-16)12-20-11-5-8-19(21)18(20)10-9-17(14)20/h2-4,6-7,14-15,17-19,21H,5,8-13H2,1H3/t14-,15-,17-,18+,19+,20+/m1/s1 |
| InChIKey | DQSODZABMIKJAM-XVMGYKCHSA-N |
| Literature Reference Author | E.MOMAN,D.NICOLETTI,A.MOURINO |
| Literature Reference Citation | ORG.LETTERS,8,1249(2006) |
| Literature Reference DOI | 10.1021/ol060231w |
| Molecular Weight | 348.501 g/mol |
| Sample ID | 40004 |
| Solvent | CDCl3 |