| SpectraBase Spectrum ID |
I1GGSCRNSse |
| Name |
5.alpha.-Androstane-17.beta.-carboxylic acid-3.beta.-ol(3.beta.-acetate-17.beta.-methyl ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-14(24)27-16-9-11-22(2)15(13-16)5-6-17-18-7-8-20(21(25)26-4)23(18,3)12-10-19(17)22/h15-20H,5-13H2,1-4H3 |
| InChIKey |
HZUUHCXBSGFHDC-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C12(C(C3CCC4C(C3CC2)(CCC(OC(=O)C)C4)C)CCC1C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974576 |
