| SpectraBase Compound ID | IpvOLVDNeny |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17-18,20H,3,5,7-10H2,1-2H3/t17-,18-,19-/m0/s1 |
| InChIKey | DSPYHYQINLYOKE-FHWLQOOXSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C19H24O2 |
| Exact Mass | 284.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JhdH1BWlCi |
|---|---|
| Name | 3-Methoxyestra-1,3,5(10),8-tetraen-17.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17-18,20H,3,5,7-10H2,1-2H3/t17-,18-,19-/m0/s1 |
| InChIKey | DSPYHYQINLYOKE-FHWLQOOXSA-N |
| SMILES | C1(=CC=C2C(=C1)CCC1=C2CC[C@]2([C@]1(CC[C@@]2(O)[H])[H])C)OC |