Sodium 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethoxy]Carbonylcyclohex-3-Ene-1-Carboxylic Acid
[CAS# 3331-71-3]

Identification

• Name: Sodium 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethoxy]Carbonylcyclohex-3-Ene-1-Carboxylic Acid
• Synonyms: Sodium 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]Carbonylcyclohex-3-Ene-1-Carboxylic Acid; Sodium 6-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethoxy]-Oxomethyl]-1-Cyclohex-3-Enecarboxylic Acid; Sodium 6-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethoxy]Carbonylcyclohex-3-Ene-1-Carboxylic Acid
• Molecular Formula: C₂₉H₃₆NaO₈
• Molecular Weight: 535.59
• CAS Registry Number: 3331-71-3
• EINECS: 222-058-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)C5C(C(O)=O)CC=CC5)C.[Na+]
• InChI: 1S/C29H36O8.Na/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34;/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34);/q;+1/t18?,19?,20-,21-,22-,24+,27-,28-,29-;/m0./s1
• InChIKey: LJZITGOQTCTZFY-NJOYYUEASA-N