4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxyacetyl)-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]Oxy]-4-Oxobutanoic Acid
[CAS# 77074-42-1]

Identification

• Name: 4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxyacetyl)-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]Oxy]-4-Oxobutanoic Acid
• Synonyms: 4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxyacetyl)-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Oxo-Butanoic Acid; 4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-6,10,13-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Oxobutanoic Acid; 4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-17-Glycoloyl-11-Hydroxy-3-Keto-6,10,13-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]Oxy]-4-Keto-Butyric Acid
• Molecular Formula: C₂₆H₃₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 77074-42-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)C)C)[C@@H](O)C[C@@]3([C@](OC(=O)CCC(=O)O)(CC4)C(=O)CO)C
• InChI: 1S/C26H34O8/c1-14-10-16-17-7-9-26(20(30)13-27,34-22(33)5-4-21(31)32)25(17,3)12-19(29)23(16)24(2)8-6-15(28)11-18(14)24/h6,8,11,14,16-17,19,23,27,29H,4-5,7,9-10,12-13H2,1-3H3,(H,31,32)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1
• InChIKey: VDJNUHGXSJAWMH-XYMSELFBSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 679.597°C at 760 mmHg (Cal.)
• Flash point: 226.926°C (Cal.)