Methyl (5S,8R,9S,10S,13R,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9 ,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-17-Carboxylate
[CAS# 4139-88-2]

Identification

• Name: Methyl (5S,8R,9S,10S,13R,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9 ,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-17-Carboxylate
• Synonyms: (5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-17-Carboxylic Acid Methyl Ester; (5S,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-17-Carboxylic Acid Methyl Ester; 5.Alpha.-Androstane-17.Beta.-Carboxylic Acid, 3-Oxo-, Methyl Ester
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 4139-88-2
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CCC(=O)C3)C)CC[C@@H]4C(=O)OC)C
• InChI: 1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
• InChIKey: YSBQFDHILMUWPK-KVHKMPIWSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 424.64°C at 760 mmHg (Cal.)
• Flash point: 182.816°C (Cal.)