MADHP
methyl (8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate
Also Known As: MADHP|Pregna-1,4-dien-21-oic acid, 11-hydroxy-17,20-((1- methylethylidene)bis(oxy))-3-oxo-, methyl ester, (11beta,20S)-|methyl (8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate|Pregna-1,4-dien-21-oic acid, 11-hydroxy-17,20-((1-methylethylidene)bis(oxy))-3-oxo-, methyl ester, (11beta,20S)-
| Molecular Formula | C25H34O6 |
|---|---|
| Molecular Weight | 430.23553 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.23553 |
| Monoisotopic Mass | 430.23553 |
| Heavy Atoms | 31 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 97142-20-6 |
|---|---|
| SMILES | C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC24C(OC(O4)(C)C)C(=O)OC)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | LWQQNBKTKLISOW-BUNGJMLPSA-N |
Product Overview
MADHP (CAS 97142-20-6), with molecular formula C25H34O6 and molecular weight 430.23553 g/mol. IUPAC: methyl (8'S,9'S,10'R,11'S,13'S,14'S)-11'-hydroxy-2,2,10',13'-tetramethyl-3'-oxospiro[1,3-dioxolane-5,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-4-carboxylate.
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