Marvelon
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C42H54O3 |
|---|---|
| Molecular Weight | 606.9 g/mol |
| Topological Polar Surface Area | 60.7 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 606.4073 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 71138-35-7 |
|---|---|
| SMILES | CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | MXBCYQUALCBQIJ-RYVPXURESA-N |
📖 Product Overview
Marvelon (CAS: 71138-35-7) is a chemical compound with molecular formula C42H54O3 and molecular weight 606.9 g/mol. Its IUPAC systematic name is (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
MXBCYQUALCBQIJ-RYVPXURESA-N.
SMILES: CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.
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