| SpectraBase Spectrum ID |
2M87hszQOMB |
| Name |
Androstane-16-carboxylic acid, 3-hydroxy-17-oxo-, methyl ester, (3.beta.,5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-20-8-6-13(22)10-12(20)4-5-14-16(20)7-9-21(2)17(14)11-15(18(21)23)19(24)25-3/h12-17,22H,4-11H2,1-3H3/t12-,13-,14+,15?,16-,17-,20-,21-/m0/s1 |
| InChIKey |
VLTVQWBXFDKJJZ-WJGVYPSRSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])[H])(CC(C1=O)C(=O)OC)[H])C |
