| SpectraBase Spectrum ID |
KEsjgjYGww8 |
| Name |
19-(Acetylsulfanyl)-3,3-(ethylenedioxy)-21-(acetoxy0-pregn-5-en-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O6S |
| InChI |
InChI=1S/C27H38O6S/c1-17(28)31-15-24(30)23-7-6-21-20-5-4-19-14-27(32-12-13-33-27)11-10-26(19,16-34-18(2)29)22(20)8-9-25(21,23)3/h4,20-23H,5-16H2,1-3H3/t20?,21?,22?,23-,25+,26-/m1/s1 |
| InChIKey |
VZKKIXAEWAYGDP-IVKHKAQLSA-N |
| Molecular Weight |
490.655 g/mol |
| SMILES |
[C@]12(C(=CCC3C4CC[C@@]([C@]4(CCC23)C)(C(COC(=O)C)=O)[H])CC2(CC1)OCCO2)CSC(=O)C |
| SPLASH |
splash10-0007-9000000000-ffc5cbd051183bf107d5 |
| Source of Spectrum |
AF-48-5681-7b |
| Wiley ID |
1693958 |
