| SpectraBase Compound ID | 7KmJFjinerM |
|---|---|
| InChI | InChI=1S/C23H35ClO3/c1-22-11-9-16(27-21(26)4-3-13-24)14-15(22)5-6-17-18-7-8-20(25)23(18,2)12-10-19(17)22/h15-19H,3-14H2,1-2H3 |
| InChIKey | CXIUHMPDEUPPPV-UHFFFAOYSA-N |
| Mol Weight | 395.0 g/mol |
| Molecular Formula | C23H35ClO3 |
| Exact Mass | 394.227473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdI6VMJmmxB |
|---|---|
| Name | Trans-androsterone, 4-chlorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.227472684 u |
| Formula | C23H35ClO3 |
| InChI | InChI=1S/C23H35ClO3/c1-22-11-9-16(27-21(26)4-3-13-24)14-15(22)5-6-17-18-7-8-20(25)23(18,2)12-10-19(17)22/h15-19H,3-14H2,1-2H3 |
| InChIKey | CXIUHMPDEUPPPV-UHFFFAOYSA-N |
| Molecular Weight | 394.983 g/mol |
| SMILES | CC12CCC3C(C2CCC1=O)CCC1C3(CCC(C1)OC(CCCCl)=O)C |