4-[1-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Ethylamino]-4-Oxobutanoic Acid
[CAS# 134332-55-1]

Identification

• Name: 4-[1-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl]Ethylamino]-4-Oxobutanoic Acid
• Synonyms: 4-[1-[(10R,13S,17S)-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethylamino]-4-Oxo-Butanoic Acid; 4-Keto-4-[1-[(10R,13S,17S)-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]Ethylamino]Butyric Acid; 20-Spdo
• Molecular Formula: C₂₅H₃₅NO₄
• Molecular Weight: 413.56
• CAS Registry Number: 134332-55-1
• SMILES: [C@@H]3(CCC4C2CCC1=CC(C=C[C@@]1(C2CC[C@]34C)C)=O)C(NC(CCC(=O)O)=O)C
• InChI: 1S/C25H35NO4/c1-15(26-22(28)8-9-23(29)30)19-6-7-20-18-5-4-16-14-17(27)10-12-24(16,2)21(18)11-13-25(19,20)3/h10,12,14-15,18-21H,4-9,11,13H2,1-3H3,(H,26,28)(H,29,30)/t15?,18?,19-,20?,21?,24+,25-/m1/s1
• InChIKey: OZCLQWPJLDJACS-IBFVWHBQSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 634.714°C at 760 mmHg (Cal.)
• Flash point: 337.663°C (Cal.)