| SpectraBase Compound ID | DAYu0D3Dj09 |
|---|---|
| InChI | InChI=1S/C20H28O3S/c1-15(12-14-24(22,23)16-7-4-3-5-8-16)17-10-11-18-19(21)9-6-13-20(17,18)2/h3-5,7-8,12,14-15,17-19,21H,6,9-11,13H2,1-2H3/b14-12+/t15-,17+,18-,19-,20+/m0/s1 |
| InChIKey | UTXNIBPGWFCRDM-OEVIBQEKSA-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 | 4RSDCPa0spL |
|---|---|
| Name | (22-E)-DE-A,B-8-HYDROXY-24-NORCHOL-22-ENE-23-PHENYLSULFONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O3S |
| InChI | InChI=1S/C20H28O3S/c1-15(12-14-24(22,23)16-7-4-3-5-8-16)17-10-11-18-19(21)9-6-13-20(17,18)2/h3-5,7-8,12,14-15,17-19,21H,6,9-11,13H2,1-2H3/b14-12+/t15-,17+,18-,19-,20+/m0/s1 |
| InChIKey | UTXNIBPGWFCRDM-OEVIBQEKSA-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 | 39990 |
| Solvent | CDCl3 |