| SpectraBase Spectrum ID |
4ztAQ8pqwye |
| Name |
16.alpha./.beta.-Chloro-3-acetoxy-11-.beta.-ethoxyestra-1,3,5(10)-triene-17-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27ClO4 |
| InChI |
InChI=1S/C22H27ClO4/c1-4-26-19-11-22(3)17(10-18(23)21(22)25)16-7-5-13-9-14(27-12(2)24)6-8-15(13)20(16)19/h6,8-9,16-20H,4-5,7,10-11H2,1-3H3/t16?,17?,18-,19-,20?,22-/m0/s1 |
| InChIKey |
MMZSOJFOCKPXAC-PDSAOHJUSA-N |
| Molecular Weight |
390.907 g/mol |
| SMILES |
[C@@]12(C(C3CCc4c(C3[C@](C2)(OCC)[H])ccc(OC(=O)C)c4)C[C@@](C1=O)(Cl)[H])C |
| SPLASH |
splash10-03di-0094000000-5dcfd32c119c019f0723 |
| Source of Spectrum |
E1-36-269-10 |
| Wiley ID |
1574617 |
