| SpectraBase Compound ID | 6lsLxFA3qW8 |
|---|---|
| InChI | InChI=1S/C26H38O7/c1-24-12-10-17(28)14-16(24)4-5-18-19-6-7-21(25(19,2)13-11-20(18)24)32-22(29)8-9-23(30)33-26(3,31)15-27/h14,18-21,27,31H,4-13,15H2,1-3H3/t18?,19?,20?,21?,24-,25-,26?/m0/s1 |
| InChIKey | AVCUZSPVIZVXHA-VXKUAMNXSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C26H38O7 |
| Exact Mass | 462.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ApOKjhGxLy |
|---|---|
| Name | 2-Glyceryl 3-(3'-oxo-4'-androsten-17.beta.-oxycarbonyl)-propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.261753557 u |
| Formula | C26H38O7 |
| InChI | InChI=1S/C26H38O7/c1-24-12-10-17(28)14-16(24)4-5-18-19-6-7-21(25(19,2)13-11-20(18)24)32-22(29)8-9-23(30)33-26(3,31)15-27/h14,18-21,27,31H,4-13,15H2,1-3H3/t18?,19?,20?,21?,24-,25-,26?/m0/s1 |
| InChIKey | AVCUZSPVIZVXHA-VXKUAMNXSA-N |
| Molecular Weight | 462.583 g/mol |
| SMILES | [C@@]12(C(=CC(CC2)=O)CCC2C3CCC([C@]3(CCC12)C)OC(=O)CCC(OC(O)(CO)C)=O)C |