![(5Z)-5-[(Estradiol-17'.alpha.-yl)methylene]furan-2(5H)-one](/api/spectrum/6QVwChSwjOy/structure.png?h=300&w=458 "(5Z)-5-[(Estradiol-17'.alpha.-yl)methylene]furan-2(5H)-one")
| SpectraBase Compound ID | Dbo2BqlU1Iv |
|---|---|
| InChI | InChI=1S/C23H26O4/c1-22-10-8-18-17-6-3-15(24)12-14(17)2-5-19(18)20(22)9-11-23(22,26)13-16-4-7-21(25)27-16/h3-4,6-7,12-13,18-20,24,26H,2,5,8-11H2,1H3/b16-13-/t18-,19-,20+,22-,23-/m0/s1 |
| InChIKey | RANWTXNHPUBHQA-ZXQIIXMVSA-N |
| Mol Weight | 366.46 g/mol |
| Molecular Formula | C23H26O4 |
| Exact Mass | 366.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QVwChSwjOy |
|---|---|
| Name | (5Z)-5-[(Estradiol-17'.alpha.-yl)methylene]furan-2(5H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.183109313 u |
| Formula | C23H26O4 |
| InChI | InChI=1S/C23H26O4/c1-22-10-8-18-17-6-3-15(24)12-14(17)2-5-19(18)20(22)9-11-23(22,26)13-16-4-7-21(25)27-16/h3-4,6-7,12-13,18-20,24,26H,2,5,8-11H2,1H3/b16-13-/t18-,19-,20+,22-,23-/m0/s1 |
| InChIKey | RANWTXNHPUBHQA-ZXQIIXMVSA-N |
| Molecular Weight | 366.457 g/mol |
| SMILES | [C@]12([C@@](\C=C\3OC(=O)C=C3)(CC[C@@]1([C@@]1([C@@](C=3C(=CC(=CC3)O)CC1)([H])CC2)[H])[H])O)C |