Oraconal
[CAS# 8064-66-2]

Identification

• Name: Oraconal
• Synonyms: Acetic Acid (17-Acetyl-6,10,13-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ester; 17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; Acetic Acid (17-Acetyl-3-Keto-6,10,13-Trimethyl-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ester; 17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; (17-Ethanoyl-6,10,13-Trimethyl-3-Oxo-2,8,9,11,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl) Ethanoate; 17-Ethynyl-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol
• Molecular Formula: C₄₄H₅₆O₆
• Molecular Weight: 680.92
• CAS Registry Number: 8064-66-2
• SMILES: C1=CC(=CC4=C1C3CCC2(C(C#C)(CCC2C3CC4)O)C)O.CC78C6CCC5(C(CCC5C6C=C(C7=CC(=O)CC8)C)(OC(=O)C)C(=O)C)C
• InChI: 1S/C24H32O4.C20H24O2/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12-13,18-20H,6-11H2,1-5H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3
• InChIKey: NIXVMBBZNVOBHS-UHFFFAOYSA-N