(2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Propanoic Acid
[CAS# 78962-23-9]

Identification

• Name: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Propanoic Acid
• Synonyms: (2S)-2-[(8R,9S,10R,12R,13S,14S,17R)-12-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 12-Hydroxy-3-Oxo-1,4-Pregnadiene-20-Carboxylic Acid; 12-Hydroxy-3-Oxopregna-1,4-Diene-20-Carboxylic Acid (12Beta,20S)-
• Molecular Formula: C₂₂H₃₀O₄
• Molecular Weight: 358.48
• CAS Registry Number: 78962-23-9
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](C(=O)O)C)([C@H](O)C[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C22H30O4/c1-12(20(25)26)16-6-7-17-15-5-4-13-10-14(23)8-9-21(13,2)18(15)11-19(24)22(16,17)3/h8-10,12,15-19,24H,4-7,11H2,1-3H3,(H,25,26)/t12-,15-,16+,17-,18-,19+,21-,22+/m0/s1
• InChIKey: GOJFQAWHNZEBKB-OICSVGKFSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 548.543°C at 760 mmHg (Cal.)
• Flash point: 299.611°C (Cal.)