[(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy]-6-Methyloxan-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] Formate
[CAS# 73987-01-6]

Identification

• Name: [(3S,5R,8R,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyloxan-2-Yl]Oxy]-6-Methyloxan-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] Formate
• Synonyms: [(3S,5R,8R,9S,10S,13R,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] Formate; Formic Acid [(3S,5R,8R,9S,10S,13R,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; Formic Acid [(3S,5R,8R,9S,10S,13R,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: C₄₂H₆₄O₁₅
• Molecular Weight: 808.96
• CAS Registry Number: 73987-01-6
• SMILES: [C@H]34C1(O)[C@@]([C@H](C(OC=O)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/C42H64O15/c1-20-37(47)28(44)14-33(52-20)56-30-16-35(54-22(3)39(30)57-34-15-29(45)38(48)21(2)53-34)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(46)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-45,47-49H,6-11,13-18H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31?,33-,34-,35-,36+,37-,38-,39-,40+,41-,42?/m1/s1
• InChIKey: IMIMKPWRAQJJNB-KCTVDHCLSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 911.869°C at 760 mmHg (Cal.)
• Flash point: 269.522°C (Cal.)