4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-2-Yl]Ethoxy]-4-Oxobutanoic Acid
[CAS# 134329-94-5]

Identification

• Name: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-2-Yl]Ethoxy]-4-Oxobutanoic Acid
• Synonyms: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-2-Yl]Ethoxy]-4-Oxo-Butanoic Acid; 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-2-Yl]Ethoxy]-4-Oxobutanoic Acid; 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-2-Yl]Ethoxy]-4-Keto-Butyric Acid
• Molecular Formula: C₃₃H₅₂O₅
• Molecular Weight: 528.77
• CAS Registry Number: 134329-94-5
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)[C@@H](C1)CCOC(=O)CCC(=O)O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C33H52O5/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-24-19-29(34)23(16-18-38-31(37)14-13-30(35)36)20-33(24,5)28(25)15-17-32(26,27)4/h19,21-23,25-28H,6-18,20H2,1-5H3,(H,35,36)/t22-,23-,25+,26-,27+,28+,32-,33+/m1/s1
• InChIKey: SYQQWGGBOQFINV-FBWHQHKGSA-N

Properties

• Density: 1.092g/cm³ (Cal.)
• Boiling point: 639.909°C at 760 mmHg (Cal.)
• Flash point: 195.396°C (Cal.)