Methyl (5S,10R,13R,14S)-14-Hydroxy-13-Methyl-1,7,17-Trioxo-3,4,5,6,11,12,15,16-Octahydro-2H-Cyclopenta[a]Phenanthrene-10-Carboxylate
[CAS# 130993-62-3]

Identification

• Name: Methyl (5S,10R,13R,14S)-14-Hydroxy-13-Methyl-1,7,17-Trioxo-3,4,5,6,11,12,15,16-Octahydro-2H-Cyclopenta[a]Phenanthrene-10-Carboxylate
• Synonyms: (5S,10R,13R,14S)-14-Hydroxy-13-Methyl-1,7,17-Trioxo-3,4,5,6,11,12,15,16-Octahydro-2H-Cyclopenta[A]Phenanthrene-10-Carboxylic Acid Methyl Ester; (5S,10R,13R,14S)-14-Hydroxy-1,7,17-Triketo-13-Methyl-3,4,5,6,11,12,15,16-Octahydro-2H-Cyclopenta[A]Phenanthrene-10-Carboxylic Acid Methyl Ester; Androst-8-En-19-Oic Acid, 14-Hydroxy-1,7,17-Trioxo-, Methyl Ester, (5Beta,13Alpha)-(+-)-
• Molecular Formula: C₂₀H₂₄O₆
• Molecular Weight: 360.41
• CAS Registry Number: 130993-62-3
• SMILES: [C@]34(C2=C([C@@]1(O)[C@](C(=O)CC1)(CC2)C)C(=O)C[C@@H]3CCCC4=O)C(OC)=O
• InChI: 1S/C20H24O6/c1-18-8-6-12-16(19(18,25)9-7-14(18)22)13(21)10-11-4-3-5-15(23)20(11,12)17(24)26-2/h11,25H,3-10H2,1-2H3/t11-,18-,19+,20+/m0/s1
• InChIKey: GYYNKXHCVKWBDR-YRZPBDNOSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 560.36°C at 760 mmHg (Cal.)
• Flash point: 199.768°C (Cal.)