![[3-Methoxy-17-(.alpha.-ethynyl)estra-1,3,5(10)-trien-17.beta.-ol]Acetate](/api/spectrum/JRbcwKF0zIk/structure.png?h=300&w=458 "[3-Methoxy-17-(.alpha.-ethynyl)estra-1,3,5(10)-trien-17.beta.-ol]Acetate")
| SpectraBase Compound ID | 9H9qWq8QaTi |
|---|---|
| InChI | InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1 |
| InChIKey | VUOXWYSHLSLTID-VROINQGHSA-N |
| Mol Weight | 352.47 g/mol |
| Molecular Formula | C23H28O3 |
| Exact Mass | 352.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JRbcwKF0zIk |
|---|---|
| Name | [3-Methoxy-17-(.alpha.-ethynyl)estra-1,3,5(10)-trien-17.beta.-ol]Acetate |
| Alternate Name(s) | (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate [(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O3 |
| InChI | InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1 |
| InChIKey | VUOXWYSHLSLTID-VROINQGHSA-N |
| Literature Reference DOI | 10.1002/adsc.200303200 |
| Molecular Weight | 352.474 g/mol |
| SMILES | c1(ccc2[C@]3(CC[C@@]4([C@@](CC[C@]4([C@@]3(CCc2c1)[H])[H])(C#C)OC(C)=O)C)[H])OC |
| SPLASH | splash10-004i-2984000000-8a6e7d3d255fa41605f1 |
| Source of Spectrum | ASC-346-484-1h |
| Wiley ID | 1767557 |