| SpectraBase Spectrum ID |
CzUX4FQTG2g |
| Name |
3,17.beta.-di-Tert-butoxy-4-propyl-3,4-seco-5.alpha.-adrrostan-6-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.407295596 u |
| Formula |
C30H54O3 |
| InChI |
InChI=1S/C30H54O3/c1-10-11-13-24-25(31)20-21-22-14-15-26(33-28(5,6)7)30(22,9)18-16-23(21)29(24,8)17-12-19-32-27(2,3)4/h21-24,26H,10-20H2,1-9H3 |
| InChIKey |
MGSLSIFOOARAOP-UHFFFAOYSA-N |
| Molecular Weight |
462.759 g/mol |
| SMILES |
C(CCC1(C(CCCC)C(CC2C1CCC1(C2CCC1OC(C)(C)C)C)=O)C)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858036 |
