Methyl (4R)-4-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-Pentamethyl-7,11-Dioxo-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
[CAS# 57706-74-8]

Identification

• Name: Methyl (4R)-4-[(3S,5R,10S,13R,14R,17R)-3-Acetyloxy-4,4,10,13,14-Pentamethyl-7,11-Dioxo-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoate
• Synonyms: Methyl (4R)-4-[(3S,5R,10S,13R,14R,17R)-3-Acetoxy-4,4,10,13,14-Pentamethyl-7,11-Dioxo-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate; (4R)-4-[(3S,5R,10S,13R,14R,17R)-3-Acetoxy-4,4,10,13,14-Pentamethyl-7,11-Dioxo-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(3S,5R,10S,13R,14R,17R)-3-Acetoxy-7,11-Diketo-4,4,10,13,14-Pentamethyl-2,3,5,6,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Methyl Ester
• Molecular Formula: C₃₀H₄₄O₆
• Molecular Weight: 500.67
• CAS Registry Number: 57706-74-8
• SMILES: [C@H]([C@H]1CC[C@@]2([C@@]1(CC(=O)C3=C2C(C[C@@H]4[C@]3(C)CC[C@H](OC(=O)C)C4(C)C)=O)C)C)(CCC(=O)OC)C
• InChI: 1S/C30H44O6/c1-17(9-10-24(34)35-8)19-11-14-29(6)26-20(32)15-22-27(3,4)23(36-18(2)31)12-13-28(22,5)25(26)21(33)16-30(19,29)7/h17,19,22-23H,9-16H2,1-8H3/t17-,19-,22+,23+,28+,29+,30-/m1/s1
• InChIKey: AAVOYMLFAXWAEZ-JFAMLQSJSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 563.311°C at 760 mmHg (Cal.)
• Flash point: 235.094°C (Cal.)