| SpectraBase Spectrum ID |
AsTBsfMfJ0I |
| Name |
1Beta,3alpha-dihydroxy-5beta-androstane-11,17-dione, 3-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.209324061 u |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-11(22)26-13-8-12-4-5-14-15-6-7-17(24)20(15,2)10-16(23)19(14)21(12,3)18(25)9-13/h12-15,18-19,25H,4-10H2,1-3H3/t12-,13+,14+,15+,18-,19-,20+,21-/m1/s1 |
| InChIKey |
FFHKLFTZSUSTPN-NNYTWUSXSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
O[C@@]1(C[C@](C[C@@]2([C@]1([C@@]1([C@@](CC2)([C@]2([C@](CC1=O)(C(CC2)=O)C)[H])[H])[H])C)[H])(OC(C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.950278 |
