![1,2-Bis[(17.beta.-acetoxyandrost-5-en-3-.beta.-yl)oxy]ethane](/api/spectrum/EUrdjj7SmiK/structure.png?h=300&w=458 "1,2-Bis[(17.beta.-acetoxyandrost-5-en-3-.beta.-yl)oxy]ethane")
| SpectraBase Compound ID | K0aODBAC58g |
|---|---|
| InChI | InChI=1S/C44H66O6/c1-27(45)49-39-13-11-35-33-9-7-29-25-31(15-19-41(29,3)37(33)17-21-43(35,39)5)47-23-24-48-32-16-20-42(4)30(26-32)8-10-34-36-12-14-40(50-28(2)46)44(36,6)22-18-38(34)42/h7-8,31-40H,9-26H2,1-6H3/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42-,43-,44-/m0/s1 |
| InChIKey | BPMDFKPQJRUZPG-LZZKMQTFSA-N |
| Mol Weight | 691.0 g/mol |
| Molecular Formula | C44H66O6 |
| Exact Mass | 690.48594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EUrdjj7SmiK |
|---|---|
| Name | 1,2-bis[(17.beta.-Acetoxyandrost-5-en-3-.beta.-yl)oxy]ethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 690.485939839 u |
| Formula | C44H66O6 |
| InChI | InChI=1S/C44H66O6/c1-27(45)49-39-13-11-35-33-9-7-29-25-31(15-19-41(29,3)37(33)17-21-43(35,39)5)47-23-24-48-32-16-20-42(4)30(26-32)8-10-34-36-12-14-40(50-28(2)46)44(36,6)22-18-38(34)42/h7-8,31-40H,9-26H2,1-6H3/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42-,43-,44-/m0/s1 |
| InChIKey | BPMDFKPQJRUZPG-LZZKMQTFSA-N |
| Molecular Weight | 691.006 g/mol |
| SMILES | [C@]12(C(=CCC3C4CC[C@@]([C@]4(CCC23)C)(OC(=O)C)[H])C[C@](CC1)(OCCO[C@@]1(CC2=CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)(OC(=O)C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923787 |