| SpectraBase Compound ID | 3kD3bNeEvRy |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3-5,8,13,15-17,19-21H,2,6-7,9H2,1H3/t13?,15?,16-,17+,18+/m1/s1 |
| InChIKey | FHRDICFBGRDNRR-HELJDXQESA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSUMmr7tFiS |
|---|---|
| Name | 7-DEHYDROESTRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3-5,8,13,15-17,19-21H,2,6-7,9H2,1H3/t13?,15?,16-,17+,18+/m1/s1 |
| InChIKey | FHRDICFBGRDNRR-HELJDXQESA-N |
| Literature Reference Author | L.W.GUO,C.H.L.SHACKLETON,W.K.WILSON |
| Literature Reference Citation | ORG.LETTERS,3,2547(2001) |
| Literature Reference DOI | 10.1021/ol016224j |
| Molecular Weight | 286.371 g/mol |
| Sample ID | 27362 |
| Solvent | CD3OD |