| SpectraBase Spectrum ID |
Amzd2eSOjMX |
| Name |
17-Acetoxyspiro[androstane-3,4'-.alpha.methylene-.gamma.-butyrolactone] diasterromer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.261359635 u |
| Formula |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-15-13-25(29-22(15)27)12-11-23(3)17(14-25)5-6-18-19-7-8-21(28-16(2)26)24(19,4)10-9-20(18)23/h17-21H,1,5-14H2,2-4H3/t17-,18?,19?,20?,21-,23-,24-,25-/m0/s1 |
| InChIKey |
IEMFBSCTQPWKMP-ZJHZRQPNSA-N |
| Molecular Weight |
400.559 g/mol |
| SMILES |
[C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@]2(C4)OC(=O)C(C2)=C)C)[H])CC[C@@]1(OC(=O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884712 |
![17-Acetoxyspiro[androstane-3,4'-.alpha.methylene-.gamma.-butyrolactone] diasterromer](/api/spectrum/Amzd2eSOjMX/structure.png?h=300&w=458 "17-Acetoxyspiro[androstane-3,4'-.alpha.methylene-.gamma.-butyrolactone] diasterromer")
