Methyl 11,17,21-Trihydroxy-3,20-Dioxopregna-1,4-Diene-16-Carboxylate
[CAS# 111802-47-2]

Identification

• Name: Methyl 11,17,21-Trihydroxy-3,20-Dioxopregna-1,4-Diene-16-Carboxylate
• Synonyms: (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylic Acid Methyl Ester; (8S,9S,10R,11S,13S,14S,16R,17R)-17-Glycoloyl-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylic Acid Methyl Ester; Methyl (8S,9S,10R,11S,13S,14S,16R,17R)-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-16-Carboxylate
• Molecular Formula: C₂₃H₃₀O₇
• Molecular Weight: 418.49
• CAS Registry Number: 111802-47-2
• SMILES: [C@H]12[C@@]([C@](O)([C@@H](C1)C(OC)=O)C(=O)CO)(C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C23H30O7/c1-21-7-6-13(25)8-12(21)4-5-14-15-9-16(20(28)30-3)23(29,18(27)11-24)22(15,2)10-17(26)19(14)21/h6-8,14-17,19,24,26,29H,4-5,9-11H2,1-3H3/t14-,15-,16-,17-,19+,21-,22-,23-/m0/s1
• InChIKey: SNIXVWCOGOOOGH-UAHQIDPDSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 609.407°C at 760 mmHg (Cal.)
• Flash point: 208.807°C (Cal.)