3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-Acetyloxy-17-[(2S,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyloxolan-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-3-Oxopropanoic Acid
[CAS# 78782-15-7]

Identification

• Name: 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-Acetyloxy-17-[(2S,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyloxolan-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]-3-Oxopropanoic Acid
• Synonyms: 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-Acetoxy-17-[(2S,5R)-5-(1-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Tetrahydrofuran-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3-Oxo-Propanoic Acid; 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-Acetoxy-17-[(2S,5R)-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Tetrahydrofuranyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3-Oxopropanoic Acid; 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-Acetoxy-17-[(2S,5R)-5-(1-Hydroxy-1-Methyl-Ethyl)-2-Methyl-Tetrahydrofuran-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-3-Keto-Propionic Acid
• Molecular Formula: C₃₅H₅₆O₈
• Molecular Weight: 604.82
• CAS Registry Number: 78782-15-7
• SMILES: [C@@]35([C@]2([C@@H]([C@]1(CC[C@H](C([C@@H]1CC2)(C)C)OC(CC(=O)O)=O)C)C[C@H]([C@@H]3[C@@H]([C@]4(O[C@@H](C(O)(C)C)CC4)C)CC5)OC(=O)C)C)C
• InChI: 1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1
• InChIKey: RLVAVWQAAQFUOP-GNYBQDBLSA-N

Properties

• Density: 1.174g/cm³ (Cal.)
• Boiling point: 658.413°C at 760 mmHg (Cal.)
• Flash point: 195.805°C (Cal.)