[(3S,5R,8R,9S,10S,13R,16R,17S)-3-[(2R,4S,5R,6R)-4,5-Bis[[(2R,4S,5R,6R) -4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy]-6-Methyl-Oxan-2-Yl]Oxy-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-16-Yl] Acetate
[CAS# 29362-48-9]

Identification

• Name: [(3S,5R,8R,9S,10S,13R,16R,17S)-3-[(2R,4S,5R,6R)-4,5-Bis[[(2R,4S,5R,6R) -4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy]-6-Methyl-Oxan-2-Yl]Oxy-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-16-Yl] Acetate
• Synonyms: [(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-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-16-Yl] Acetate; Acetic Acid [(3S,5R,8R,9S,10S,13R,16R,17R)-3-[[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-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-16-Yl] Ester; Acetic Acid [(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-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-16-Yl] Ester
• Molecular Formula: C₄₃H₆₆O₁₅
• Molecular Weight: 822.99
• CAS Registry Number: 29362-48-9
• SMILES: [C@H]34C1(O)[C@@]([C@H]([C@H](OC(=O)C)C1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]8([C@H](CC4)C[C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](O)C5)C)[C@@H](O[C@H]6O[C@@H]([C@@H](O)[C@@H](O)C6)C)C7)C)CC8)C)C
• InChI: 1S/C43H66O15/c1-20-38(48)29(45)15-34(52-20)57-31-17-36(54-22(3)40(31)58-35-16-30(46)39(49)21(2)53-35)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(47)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-46,48-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32-,34-,35-,36-,37+,38-,39-,40-,41+,42-,43?/m1/s1
• InChIKey: SZHBGTRKQDNXNC-RIYHBKJUSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 907.12°C at 760 mmHg (Cal.)
• Flash point: 265.808°C (Cal.)