[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-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-16-Yl] Acetate
[CAS# 102281-00-5]

Identification

• Name: [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-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-16-Yl] Acetate
• Synonyms: Acetic Acid [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-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-16-Yl] Ester; Acetic Acid [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-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-16-Yl] Ester; [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-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-16-Yl] Ethanoate
• Molecular Formula: C₂₅H₃₆O₇
• Molecular Weight: 448.56
• CAS Registry Number: 102281-00-5
• SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@H](CC1)C[C@@H](O)CC2)C)C[C@H]3O)CC(OC(=O)C)[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C25H36O7/c1-13(26)32-19-11-25(30)17-5-4-15-9-16(27)6-7-23(15,2)18(17)10-20(28)24(25,3)22(19)14-8-21(29)31-12-14/h8,15-20,22,27-28,30H,4-7,9-12H2,1-3H3/t15-,16+,17?,18?,19?,20-,22+,23+,24-,25+/m1/s1
• InChIKey: BOMSEUWJUZCEOA-VENYRCEESA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 621.987°C at 760 mmHg (Cal.)
• Flash point: 208.436°C (Cal.)