4-[[(2S,3R,5R,9R,10R,13R,17S)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-17-[(2R,3R)-2,3,6-Trihydroxy-6-Methylheptan-2-Yl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-2-Yl]Oxy]-4-Oxobutanoic Acid
[CAS# 78832-67-4]

Identification

• Name: 4-[[(2S,3R,5R,9R,10R,13R,17S)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-17-[(2R,3R)-2,3,6-Trihydroxy-6-Methylheptan-2-Yl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthren-2-Yl]Oxy]-4-Oxobutanoic Acid
• Synonyms: 4-[[(2S,3R,5R,9R,10R,13R,17S)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethyl-Hexyl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(2S,3R,5R,9R,10R,13R,17S)-3,14-Dihydroxy-10,13-Dimethyl-6-Oxo-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-4-Oxobutanoic Acid; 4-[[(2S,3R,5R,9R,10R,13R,17S)-3,14-Dihydroxy-6-Keto-10,13-Dimethyl-17-[(1R,2R)-1,2,5-Trihydroxy-1,5-Dimethyl-Hexyl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-4-Keto-Butyric Acid
• Molecular Formula: C₃₁H₄₈O₁₀
• Molecular Weight: 580.71
• CAS Registry Number: 78832-67-4
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@H]3[C@@]([C@H]1CC2)(C[C@H](OC(=O)CCC(=O)O)[C@H](O)C3)C)CC[C@@H]4[C@@](O)([C@H](O)CCC(O)(C)C)C)C
• InChI: 1S/C31H48O10/c1-27(2,38)11-10-24(34)30(5,39)23-9-13-31(40)18-14-20(32)19-15-21(33)22(41-26(37)7-6-25(35)36)16-28(19,3)17(18)8-12-29(23,31)4/h14,17,19,21-24,33-34,38-40H,6-13,15-16H2,1-5H3,(H,35,36)/t17-,19-,21+,22-,23-,24+,28+,29+,30+,31?/m0/s1
• InChIKey: DPULBYBNKZZWKM-UCXUYIJJSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 796.426°C at 760 mmHg (Cal.)
• Flash point: 252.979°C (Cal.)