[(3S,5S,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyacetate
[CAS# 78730-58-2]

Identification

• Name: [(3S,5S,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyacetate
• Synonyms: 2-(4-Methylphenyl)Sulfonyloxyacetic Acid [(3S,5S,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 2-(4-Methylphenyl)Sulfonyloxyacetic Acid [(3S,5S,8R,9S,10S,13R,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyethanoate
• Molecular Formula: C₃₂H₄₂O₈S
• Molecular Weight: 586.74
• CAS Registry Number: 78730-58-2
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)C[C@@H](OC(=O)CO[S](=O)(=O)C2=CC=C(C=C2)C)CC3)C)CC[C@]5(C4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C32H42O8S/c1-20-4-7-24(8-5-20)41(36,37)39-19-29(34)40-23-10-13-30(2)22(17-23)6-9-27-26(30)11-14-31(3)25(12-15-32(27,31)35)21-16-28(33)38-18-21/h4-5,7-8,16,22-23,25-27,35H,6,9-15,17-19H2,1-3H3/t22-,23-,25+,26-,27+,30-,31+,32?/m0/s1
• InChIKey: CRVMLCAWYRGXHJ-QIROOBSUSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 728.508°C at 760 mmHg (Cal.)
• Flash point: 394.388°C (Cal.)