Tetrakis(3,17beta-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
[CAS# 137268-70-3]

Identification

• Name: Tetrakis(3,17beta-diacetoxyestra-1,3,5(10)-trien-2-carboxylato)dicopper(II)
• Synonyms: Dicopper; 4,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2-Carboxylate; 4,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3-Carboxylate; Dicupric; 4,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-2-Carboxylate; 4,17-Diacetoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3-Carboxylate
• Molecular Formula: C₉₂H₁₀₈Cu₂O₂₄
• Molecular Weight: 1724.94
• CAS Registry Number: 137268-70-3
• SMILES: C2C1=C(C=C(C(=O)[O-])C=C1C3C(C2)C4C(CC3)(C(CC4)OC(C)=O)C)OC(C)=O.[Cu++].[Cu++].C5=C(C(=O)[O-])C(=C6C(=C5)C7C(CC6)C8C(CC7)(C(CC8)OC(C)=O)C)OC(C)=O.C9=C(C(=O)[O-])C(=C%10C(=C9)C%11C(CC%10)C%12C(CC%11)(C(CC%12)OC(C)=O)C)OC(C)=O.C%13=C(C(=O)[O-])C(=C%14C(=C%13)C%15C(CC%14)C%16C(CC%15)(C(CC%16)OC(C)=O)C)OC(C)=O
• InChI: 1S/4C23H28O6.2Cu/c3*1-12(24)28-20-9-8-19-16-5-6-17-14(15(16)10-11-23(19,20)3)4-7-18(22(26)27)21(17)29-13(2)25;1-12(24)28-20-11-14(22(26)27)10-18-15-8-9-23(3)19(16(15)4-5-17(18)20)6-7-21(23)29-13(2)25;;/h3*4,7,15-16,19-20H,5-6,8-11H2,1-3H3,(H,26,27);10-11,15-16,19,21H,4-9H2,1-3H3,(H,26,27);;/q;;;;2*+2/p-4
• InChIKey: SKRRDJXWBLIXHY-UHFFFAOYSA-J

Properties

• Boiling point: 534.1°C at 760 mmHg (Cal.)
• Flash point: 180.8°C (Cal.)