3-[2-[(10R,13S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl]Sulfanylpropanoic Acid
[CAS# 114967-87-2]

Identification

• Name: 3-[2-[(10R,13S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl]Sulfanylpropanoic Acid
• Synonyms: 3-[2-[(10R,13S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl]Sulfanylpropanoic Acid; 3-[[2-[(10R,13S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl]Thio]Propanoic Acid; 3-[[2-[(10R,13S,17R)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl]Thio]Propionic Acid
• Molecular Formula: C₂₄H₃₄O₅S
• Molecular Weight: 434.59
• CAS Registry Number: 114967-87-2
• SMILES: [C@]14([C@](O)(CCC1C3C([C@@]2(C(=CC(=O)CC2)CC3)C)CC4)C(=O)CSCCC(=O)O)C
• InChI: 1S/C24H34O5S/c1-22-9-5-16(25)13-15(22)3-4-17-18(22)6-10-23(2)19(17)7-11-24(23,29)20(26)14-30-12-8-21(27)28/h13,17-19,29H,3-12,14H2,1-2H3,(H,27,28)/t17?,18?,19?,22-,23-,24-/m0/s1
• InChIKey: UAFRGXAWRASUEZ-UMYBXSPQSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 624.949°C at 760 mmHg (Cal.)
• Flash point: 331.757°C (Cal.)