| SpectraBase Compound ID | LOFQfvHBY5y |
|---|---|
| InChI | InChI=1S/C25H35NO2S/c1-15-14-29-23(26-15)22-8-7-20-19-6-5-17-13-18(28-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,24-,25-/m0/s1 |
| InChIKey | XSBSSRYHENJDMO-YLCICSEWSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C25H35NO2S |
| Exact Mass | 413.238851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1oPacp3DgLi |
|---|---|
| Name | 3-.beta.-(Acetoxy)-17-.beta.-(4'-methyl-2'-thiazolyl)androst-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.238850543 u |
| Formula | C25H35NO2S |
| InChI | InChI=1S/C25H35NO2S/c1-15-14-29-23(26-15)22-8-7-20-19-6-5-17-13-18(28-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,14,18-22H,6-13H2,1-4H3/t18-,19-,20-,21-,22+,24-,25-/m0/s1 |
| InChIKey | XSBSSRYHENJDMO-YLCICSEWSA-N |
| Molecular Weight | 413.620 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(C1=NC(C)=CS1)[H])[H])C |