| SpectraBase Spectrum ID |
DvlHNDCDqLW |
| Name |
Androst-4-en-17-one, 3,6-dihydroxy-, (3.alpha.,6.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,11-14,16,20-21H,3-8,10H2,1-2H3/t11-,12+,13+,14+,16-,18-,19+/m1/s1 |
| InChIKey |
HPSYAPKUNHFUQZ-FWCKWNPBSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
[C@]12(C([C@](O)(C[C@@]3([C@@]2(CC[C@@]2(C(=O)CC[C@@]32[H])C)[H])[H])[H])=C[C@@](CC1)(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928294 |
