Ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-Hydroxy-17-[(2R)-5-Methoxy-5-Oxopentan-2-Yl]-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-3-Carboxylate
[CAS 73771-71-8]

Identification

• Name: Ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-Hydroxy-17-[(2R)-5-Methoxy-5-Oxopentan-2-Yl]-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-3-Carboxylate
• Synonyms: Ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-Hydroxy-17-[(1R)-4-Methoxy-1-Methyl-4-Oxo-Butyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3-Carboxylate; (3R,8R,9S,10S,12S,13R,14S,17R)-12-Hydroxy-17-[(1R)-4-Methoxy-1-Methyl-4-Oxobutyl]-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3-Carboxylic Acid Ethyl Ester; (3R,8R,9S,10S,12S,13R,14S,17R)-12-Hydroxy-7-Keto-17-[(1R)-4-Keto-4-Methoxy-1-Methyl-Butyl]-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-3-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₈H₄₄O₆
• Molecular Weight: 476.65
• CAS Registry Number: 73771-71-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(OC)=O)C)([C@@H](O)C[C@@H]2[C@@]4(C(CC3=O)C[C@@H](CC4)C(OCC)=O)C)C
• InChI: 1S/C28H44O6/c1-6-34-26(32)17-11-12-27(3)18(13-17)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,23,25,30H,6-15H2,1-5H3/t16-,17-,18?,19-,20+,21+,23+,25+,27+,28-/m1/s1
• InChIKey: IEGZAMNMNIJBBM-AMHABCAISA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 560.05°C at 760 mmHg (Cal.)
• Flash point: 174.844°C (Cal.)