| SpectraBase Spectrum ID |
7It3Zw0AlCj |
| Name |
3,11-Dioxoandrost-4-ene-17BETA-carboxylic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-20-9-8-13(22)10-12(20)4-5-14-15-6-7-16(19(24)25-3)21(15,2)11-17(23)18(14)20/h10,14-16,18H,4-9,11H2,1-3H3/t14-,15-,16+,18+,20-,21-/m0/s1 |
| InChIKey |
MDSBXIVOBOVZCB-OCMMWJAGSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C1(C=C2[C@@](CC1)(C)[C@@]1([C@@](CC2)([C@]2([C@](CC1=O)([C@](CC2)(C(=O)OC)[H])C)[H])[H])[H])=O |
