| SpectraBase Spectrum ID |
HnPSgqAYZTS |
| Name |
16-.alpha.-Hydroxy-3,3-(ethylenedioxy)androstan-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-19-7-8-21(24-9-10-25-21)12-13(19)3-4-14-15(19)5-6-20(2)16(14)11-17(22)18(20)23/h13-17,22H,3-12H2,1-2H3/t13?,14-,15+,16+,17-,19+,20+/m1/s1 |
| InChIKey |
RDKXWXXLOVAOJV-OAXLKRRGSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C12(CC[C@]3(C(C2)CC[C@]2([C@@]4(C[C@](C([C@@]4(C)CC[C@]32[H])=O)(O)[H])[H])[H])C)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871276 |
