| SpectraBase Spectrum ID |
GWubq7RlNBl |
| Name |
5.alpha.-Androstane-3.beta.,16.beta.,18-triol-6-one(3.beta.,16.beta.,18-tri-acetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.246103492 u |
| Formula |
C25H36O7 |
| InChI |
InChI=1S/C25H36O7/c1-14(26)30-13-25-8-6-20-19(21(25)10-18(12-25)32-16(3)28)11-23(29)22-9-17(31-15(2)27)5-7-24(20,22)4/h17-22H,5-13H2,1-4H3 |
| InChIKey |
RTJSSOYRNHBHDO-UHFFFAOYSA-N |
| Molecular Weight |
448.556 g/mol |
| SMILES |
C12(C3C(C4CC(OC(=O)C)CC4(CC3)COC(=O)C)CC(C2CC(OC(=O)C)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815209 |
