2-[[(10S,13S)-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-10-Yl]Methoxy]Acetic Acid
[CAS# 79524-41-7]

Identification

• Name: 2-[[(10S,13S)-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-10-Yl]Methoxy]Acetic Acid
• Synonyms: 2-[[(10S,13S)-3,17-Diketo-13-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-10-Yl]Methoxy]Acetic Acid; 2-[[(10S,13S)-13-Methyl-3,17-Dioxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-10-Yl]Methoxy]Ethanoic Acid; 19-Hydroxy-4-Androstene-3,17-Dione Carboxymethyl Ether
• Molecular Formula: C₂₁H₂₈O₅
• Molecular Weight: 360.45
• CAS Registry Number: 79524-41-7
• SMILES: [C@]34(C2C(C1[C@@](C(=O)CC1)(CC2)C)CCC3=CC(=O)CC4)COCC(=O)O
• InChI: 1S/C21H28O5/c1-20-8-7-17-15(16(20)4-5-18(20)23)3-2-13-10-14(22)6-9-21(13,17)12-26-11-19(24)25/h10,15-17H,2-9,11-12H2,1H3,(H,24,25)/t15?,16?,17?,20-,21+/m0/s1
• InChIKey: KYEKTOOAXOBUGS-JFVSULSBSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 573.76°C at 760 mmHg (Cal.)
• Flash point: 202.345°C (Cal.)