[(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyacetate
[CAS# 78730-59-3]

Identification

• Name: [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyacetate
• Synonyms: 2-(4-Methylphenyl)Sulfonyloxyacetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 2-(4-Methylphenyl)Sulfonyloxyacetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-10-Methanoyl-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-(4-Methylphenyl)Sulfonyloxyethanoate
• Molecular Formula: C₃₂H₄₀O₁₀S
• Molecular Weight: 616.72
• CAS Registry Number: 78730-59-3
• SMILES: [C@H]14[C@@H]([C@@]3([C@](O)(CC1)C[C@@H](OC(=O)CO[S](=O)(=O)C2=CC=C(C=C2)C)CC3)C=O)CC[C@]5(C4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C32H40O10S/c1-20-3-5-23(6-4-20)43(38,39)41-18-28(35)42-22-7-12-30(19-33)25-8-11-29(2)24(21-15-27(34)40-17-21)10-14-32(29,37)26(25)9-13-31(30,36)16-22/h3-6,15,19,22,24-26,36-37H,7-14,16-18H2,1-2H3/t22-,24+,25-,26+,29+,30-,31-,32?/m0/s1
• InChIKey: OXAVAJJSVJTGNS-BNTNUVAQSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 781.971°C at 760 mmHg (Cal.)
• Flash point: 426.721°C (Cal.)