| SpectraBase Spectrum ID |
JOiYTBVLtvU |
| Name |
Methyl 3beta-acetoxy-5,17-dioxo-7-nor-5,6-secoandrostan-6-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.204238680 u |
| Formula |
C21H30O6 |
| InChI |
InChI=1S/C21H30O6/c1-12(22)27-13-7-9-21(3,17(24)11-13)15-8-10-20(2)14(5-6-16(20)23)18(15)19(25)26-4/h13-15,18H,5-11H2,1-4H3 |
| InChIKey |
BHUYQIOLPNYUGZ-UHFFFAOYSA-N |
| Molecular Weight |
378.465 g/mol |
| SMILES |
C1(CCC(C(C1)=O)(C1CCC2(C(C1C(=O)OC)CCC2=O)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851472 |
