| SpectraBase Spectrum ID |
6UoPXCeqyct |
| Name |
6.beta.-Acetoxy-17-oxo-4-propyl-3,4-seco-5.alpha.-androstan-3-oic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.287574383 u |
| Formula |
C25H40O5 |
| InChI |
InChI=1S/C25H40O5/c1-6-7-13-25(30-17(2)26)16-10-18-19-8-9-21(27)23(19,3)14-11-20(18)24(25,4)15-12-22(28)29-5/h18-20H,6-16H2,1-5H3 |
| InChIKey |
BSTBOBRNDLUQID-UHFFFAOYSA-N |
| Molecular Weight |
420.590 g/mol |
| SMILES |
C(CCC1(C(CCCC)(CCC2C1CCC1(C2CCC1=O)C)OC(=O)C)C)(OC)=O |
