| SpectraBase Compound ID | Fl0q7fJuWb1 |
|---|---|
| InChI | InChI=1S/C23H30O5/c1-13(24)27-21-12-20-19-7-5-15-11-16(26-4)6-8-17(15)18(19)9-10-23(20,3)22(21)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3/t18-,19-,20+,21?,22?,23+/m1/s1 |
| InChIKey | WWLYLQKLALYXPH-XMAZQCLNSA-N |
| Mol Weight | 386.49 g/mol |
| Molecular Formula | C23H30O5 |
| Exact Mass | 386.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dl5kQTYMIGx |
|---|---|
| Name | 3-Methoxy-16,17-diacetoxy-estra-1,3,5(10)-triene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.209324061 u |
| Formula | C23H30O5 |
| InChI | InChI=1S/C23H30O5/c1-13(24)27-21-12-20-19-7-5-15-11-16(26-4)6-8-17(15)18(19)9-10-23(20,3)22(21)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3/t18-,19-,20+,21?,22?,23+/m1/s1 |
| InChIKey | WWLYLQKLALYXPH-XMAZQCLNSA-N |
| Molecular Weight | 386.488 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4=C([C@]3(CC2)[H])C=CC(OC)=C4)[H])(CC(C1OC(=O)C)OC(=O)C)[H])C |