(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8S,9S,13S,14S)-2-Methoxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]Oxane-2-Carboxylic Acid
[CAS# 25577-70-2]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8S,9S,13S,14S)-2-Methoxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl]Oxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-2-Methoxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-2-Methoxy-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(8R,9S,13S,14S)-17-Keto-2-Methoxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₂O₉
• Molecular Weight: 476.52
• CAS Registry Number: 25577-70-2
• SMILES: [C@@]15(C)[C@H]([C@H]4[C@H](CC1)C3=CC(=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C3CC4)OC)CCC5=O
• InChI: 1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1
• InChIKey: NZTHZDNDYACBSX-FJNWEKAQSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 710.765°C at 760 mmHg (Cal.)
• Flash point: 241.463°C (Cal.)