(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-17-[(2R)-5-Hydroxy-5-Oxopentan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl]Oxy]Oxane-2-Carboxylic Acid
[CAS# 76060-17-8]

Identification

• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-17-[(2R)-5-Hydroxy-5-Oxopentan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl]Oxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-17-[(1R)-4-Hydroxy-1-Methyl-4-Oxo-Butyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-17-[(1R)-4-Hydroxy-1-Methyl-4-Oxobutyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3-Hydroxy-17-[(1R)-4-Hydroxy-4-Keto-1-Methyl-Butyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₃₀H₄₈O₁₀
• Molecular Weight: 568.70
• CAS Registry Number: 76060-17-8
• SMILES: [C@H]24[C@@H]([C@@]3([C@H]([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C2)C[C@H](O)CC3)C)CC[C@]5([C@H]4CC[C@@H]5[C@@H](CCC(=O)O)C)C
• InChI: 1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1
• InChIKey: MAXKTGFGXCXJFY-HHUAQUJWSA-N

Properties

• Density: 1.344g/cm³ (Cal.)
• Boiling point: 760.291°C at 760 mmHg (Cal.)
• Flash point: 242.897°C (Cal.)