| SpectraBase Spectrum ID |
okD4vJFxLg |
| Name |
Androstane-3-carboxylic acid, 17-oxo-, methyl ester, (5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-20-10-8-13(19(23)24-3)12-14(20)4-5-15-16-6-7-18(22)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3/t13?,14-,15-,16-,17-,20-,21-/m0/s1 |
| InChIKey |
JYDPPZBYZJSJFP-JNTYSESESA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CC[C@]2(CC(C(=O)OC)CC1)[H])[H])C |
