![19-(Acetyl(2-[(methylsulfanyl)methoxy]ethyl)amino)-5-hydroxyandrostan-17-yl acetate](/api/spectrum/7YkADRszBIY/structure.png?h=300&w=458 "19-(Acetyl(2-[(methylsulfanyl)methoxy]ethyl)amino)-5-hydroxyandrostan-17-yl acetate")
| SpectraBase Compound ID | KFDsPICrmmi |
|---|---|
| InChI | InChI=1S/C27H45NO5S/c1-19(29)28(15-16-32-18-34-4)17-26-11-5-6-12-27(26,31)14-9-21-22-7-8-24(33-20(2)30)25(22,3)13-10-23(21)26/h21-24,31H,5-18H2,1-4H3 |
| InChIKey | XFYLVHIWJVDPOI-UHFFFAOYSA-N |
| Mol Weight | 495.7 g/mol |
| Molecular Formula | C27H45NO5S |
| Exact Mass | 495.301845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7YkADRszBIY |
|---|---|
| Name | 19-(Acetyl(2-[(methylsulfanyl)methoxy]ethyl)amino)-5-hydroxyandrostan-17-yl acetate |
| Alternate Name(s) | [10-[[acetyl-[2-(methylsulfanylmethoxy)ethyl]amino]methyl]-5-hydroxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate [10-[[ethanoyl-[2-(methylsulfanylmethoxy)ethyl]amino]methyl]-13-methyl-5-oxidanyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO5S |
| InChI | InChI=1S/C27H45NO5S/c1-19(29)28(15-16-32-18-34-4)17-26-11-5-6-12-27(26,31)14-9-21-22-7-8-24(33-20(2)30)25(22,3)13-10-23(21)26/h21-24,31H,5-18H2,1-4H3 |
| InChIKey | XFYLVHIWJVDPOI-UHFFFAOYSA-N |
| Molecular Weight | 495.719 g/mol |
| SMILES | OC12CCCCC1(C1CCC3(C(CCC3C1CC2)OC(=O)C)C)CN(CCOCSC)C(=O)C |
| SPLASH | splash10-03di-9500000000-9bf0455189d7b402086c |
| Wiley ID | 1480606 |