[(3S,7R,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-7-(4-Methoxyphenyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 168412-87-1]

Identification

• Name: [(3S,7R,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-7-(4-Methoxyphenyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: [(3S,7R,8R,9S,10R,13S,14S,17S)-3-Acetoxy-7-(4-Methoxyphenyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(3S,7R,8R,9S,10R,13S,14S,17S)-3-Acetoxy-7-(4-Methoxyphenyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(3S,7R,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-7-(4-Methoxyphenyl)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₃₀H₄₀O₅
• Molecular Weight: 480.64
• CAS Registry Number: 168412-87-1
• SMILES: [C@H]14[C@@H]([C@@]3(C(=C[C@@H]1C2=CC=C(OC)C=C2)C[C@@H](OC(=O)C)CC3)C)CC[C@]5([C@H]4CC[C@@H]5OC(=O)C)C
• InChI: 1S/C30H40O5/c1-18(31)34-23-12-14-29(3)21(16-23)17-24(20-6-8-22(33-5)9-7-20)28-25-10-11-27(35-19(2)32)30(25,4)15-13-26(28)29/h6-9,17,23-28H,10-16H2,1-5H3/t23-,24+,25-,26-,27-,28-,29-,30-/m0/s1
• InChIKey: IMWRDPRQZBFXIQ-HYAUSYAKSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 561.772°C at 760 mmHg (Cal.)
• Flash point: 236.312°C (Cal.)