| SpectraBase Spectrum ID |
A77Tc7tIEfH |
| Name |
6.beta.-Acetoxy-17.beta.-tert-butoxy-4,5-secoandrostan-4-oic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.318874512 u |
| Formula |
C26H44O5 |
| InChI |
InChI=1S/C26H44O5/c1-17(27)30-18-15-19-20(25(5,16-18)13-8-9-23(28)29-7)12-14-26(6)21(19)10-11-22(26)31-24(2,3)4/h18-22H,8-16H2,1-7H3 |
| InChIKey |
MQZWGTBEUYXYPA-UHFFFAOYSA-N |
| Molecular Weight |
436.633 g/mol |
| SMILES |
CC(C)(C)OC1CCC2C1(C)CCC1C(C)(CCCC(OC)=O)CC(OC(=O)C)CC21 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983419 |
