| SpectraBase Spectrum ID |
AwC6SarWA6 |
| Name |
Androstan-7-one, 3-hydroxy-, cyclic 1,2-ethanediyl acetal, (3.beta.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-19-7-3-4-16(19)18-17(6-8-19)20(2)9-5-15(22)12-14(20)13-21(18)23-10-11-24-21/h14-18,22H,3-13H2,1-2H3 |
| InChIKey |
PEYBMRFQHDCNGR-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
CC12C3C(C4(CC2CC(CC1)O)OCCO4)C1C(CC3)(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921216 |
