21-[(2,3,4,6-Tetra-O-Acetyl-alpha-D-Glucopyranosyl)Oxy]Pregn-4-Ene-3,20-Dione
[CAS# 41092-37-9]

Identification

• Name: 21-[(2,3,4,6-Tetra-O-Acetyl-alpha-D-Glucopyranosyl)Oxy]Pregn-4-Ene-3,20-Dione
• Synonyms: [(2S,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-[2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2S,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-[2-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethoxy]-3-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3R,4S,5R,6R)-4,5-Diacetoxy-6-(Acetoxymethyl)-2-[2-Keto-2-[(8S,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Ethoxy]Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₅H₄₈O₁₂
• Molecular Weight: 660.76
• CAS Registry Number: 41092-37-9
• EINECS: 255-213-3
• SMILES: [C@H]35[C@H]1[C@@]([C@H](CC1)C(=O)CO[C@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)(CC[C@@H]3[C@@]4(C(=CC(=O)CC4)CC5)C)C
• InChI: 1S/C35H48O12/c1-18(36)42-17-29-30(44-19(2)37)31(45-20(3)38)32(46-21(4)39)33(47-29)43-16-28(41)27-10-9-25-24-8-7-22-15-23(40)11-13-34(22,5)26(24)12-14-35(25,27)6/h15,24-27,29-33H,7-14,16-17H2,1-6H3/t24-,25-,26-,27+,29+,30+,31-,32+,33-,34-,35-/m0/s1
• InChIKey: PUCKSOHSQOODDS-QQHFTRTASA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 717.041°C at 760 mmHg (Cal.)
• Flash point: 292.481°C (Cal.)