| SpectraBase Spectrum ID |
HhE2L6prdJp |
| Name |
Androstan-17-one, 3,12-dihydroxy-, (3.beta.,5.beta.,12.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17-,18+,19+/m1/s1 |
| InChIKey |
FQYAJGAWVLTGPQ-DVGQRDSXSA-N |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@]2(O)[H])[H])(CC[C@](O)(C4)[H])C)[H])[H])(CCC1=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818518 |
