| SpectraBase Spectrum ID |
9zsqvHXTQ0o |
| Name |
Androstan-12-one, 17-(hydroxymethyl)-, cyclic 1,2-ethanediyl acetal, (5.alpha.,17.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-20-10-4-3-5-15(20)6-8-17-18-9-7-16(14-23)21(18,2)22(13-19(17)20)24-11-12-25-22/h15-19,23H,3-14H2,1-2H3/t15-,16-,17+,18+,19+,20+,21-/m1/s1 |
| InChIKey |
JYWRAZSUHKBYKF-URNIPBEBSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
C12([C@]3([C@](CC[C@@]3(CO)[H])([H])[C@]3([C@](C1)([C@@]1([C@@](CC3)(CCCC1)[H])C)[H])[H])C)OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897111 |
