| SpectraBase Compound ID | JPAJNeCXCaw |
|---|---|
| InChI | InChI=1S/C20H25IO2/c1-12(22)23-19-8-7-18-17-5-3-13-11-14(21)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | GKMWSNXUHMNIAP-SLHNCBLASA-N |
| Mol Weight | 424.32 g/mol |
| Molecular Formula | C20H25IO2 |
| Exact Mass | 424.089925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtB6Ke8Fhb8 |
|---|---|
| Name | 3-JODOESTRA-1,3,5(10)-TRIEN-17-BETA-YL-ACETAT |
| Compound Number | 404 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H25IO2 |
| InChI | InChI=1S/C20H25IO2/c1-12(22)23-19-8-7-18-17-5-3-13-11-14(21)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | GKMWSNXUHMNIAP-SLHNCBLASA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 424.322 g/mol |
| Solvent | DIOXANE |
| Source File Reference | UNIW71 |