[(5S,9R,10S,12R,13S,14S)-4,4,8-Tris(Deuteriomethyl)-17-[(2R)-1,3-Dioxobutan-2-Yl]-10,13-Dimethyl-2,3,5,6,7,9,11,12,14,15-Decahydro-1H-Cyclopenta[a]Phenanthren-12-Yl] 3-Hydroxybutanoate
[CAS# 75605-85-5]

Identification

• Name: [(5S,9R,10S,12R,13S,14S)-4,4,8-Tris(Deuteriomethyl)-17-[(2R)-1,3-Dioxobutan-2-Yl]-10,13-Dimethyl-2,3,5,6,7,9,11,12,14,15-Decahydro-1H-Cyclopenta[a]Phenanthren-12-Yl] 3-Hydroxybutanoate
• Synonyms: [(5S,9R,10S,12R,13S,14S)-4,4,8-Tris(Deuteriomethyl)-17-[(1R)-1-Formyl-2-Oxo-Propyl]-10,13-Dimethyl-2,3,5,6,7,9,11,12,14,15-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] 3-Hydroxybutanoate; 3-Hydroxybutanoic Acid [(5S,9R,10S,12R,13S,14S)-4,4,8-Tris(Deuteriomethyl)-17-[(1R)-1-Formyl-2-Oxopropyl]-10,13-Dimethyl-2,3,5,6,7,9,11,12,14,15-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester; 3-Hydroxybutyric Acid [(5S,9R,10S,12R,13S,14S)-4,4,8-Tris(Deuteriomethyl)-17-[(1R)-1-Formyl-2-Keto-Propyl]-10,13-Dimethyl-2,3,5,6,7,9,11,12,14,15-Decahydro-1H-Cyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₃₀H₄₃D₃O₅
• Molecular Weight: 489.71
• CAS Registry Number: 75605-85-5
• SMILES: [C@@H]13C([C@H]2[C@]([C@H](OC(=O)CC(O)C)C1)(C(=CC2)[C@@H](C(=O)C)C=O)C)(CC[C@@H]4[C@@]3(CCCC4(C[2H])C[2H])C)C[2H]
• InChI: 1S/C30H46O5/c1-18(32)15-26(34)35-25-16-24-28(5)13-8-12-27(3,4)22(28)11-14-29(24,6)23-10-9-21(30(23,25)7)20(17-31)19(2)33/h9,17-18,20,22-25,32H,8,10-16H2,1-7H3/t18?,20-,22+,23+,24-,25-,28+,29?,30-/m1/s1/i3D,4D,6D
• InChIKey: WAZWEDQMICPFIL-SZNNFQGDSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 557.37°C at 760 mmHg (Cal.)
• Flash point: 170.44°C (Cal.)