| SpectraBase Spectrum ID |
HtiWyHLuled |
| Name |
1'-(Ethoxycarbonyl)androstano[16.alpha.,17-C]cyclohex-4'-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.287180462 u |
| Formula |
C25H38O2 |
| InChI |
InChI=1S/C25H38O2/c1-24-12-5-4-6-18(24)9-10-19-20(24)11-13-25(2)21-15-17(23(26)27-3)8-7-16(21)14-22(19)25/h15-20,22H,4-14H2,1-3H3/t16?,17?,18?,19?,20-,22-,24-,25+/m0/s1 |
| InChIKey |
IEUITNTVIDSEMS-ZZTDJTFRSA-N |
| Molecular Weight |
370.577 g/mol |
| SMILES |
[C@]12(C3=CC(C(=O)OC)CCC3C[C@]1(C1CCC3[C@]([C@]1(CC2)[H])(C)CCCC3)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858914 |
![1'-(Ethoxycarbonyl)androstano[16.alpha.,17-c]cyclohex-4'-ene](/api/spectrum/HtiWyHLuled/structure.png?h=300&w=458 "1'-(Ethoxycarbonyl)androstano[16.alpha.,17-c]cyclohex-4'-ene")
