11,21-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl methoxyacetate
[CAS# 86282-02-2]

Identification

• Name: 11,21-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl methoxyacetate
• Synonyms: 11,17,21-Trihydroxy-6 methyl-1,4-pregnadiene-3,20-dione 17-methoxyacetate; 6-Methylprednisolone 17-meoac; 6-Methylprednisolone 17-methoxyacetate
• Molecular Formula: C₂₅H₃₄O₇
• Molecular Weight: 446.53
• CAS Registry Number: 86282-02-2
• SMILES: O=C(O[C@@]3(C(=O)CO)[C@]2(CC(O)[C@@H]4[C@@]/1(\C(=C/C(=O)\C=C\1)C(C)C[C@H]4[C@@H]2CC3)C)C)COC
• InChI: 1S/C25H34O7/c1-14-9-16-17-6-8-25(20(29)12-26,32-21(30)13-31-4)24(17,3)11-19(28)22(16)23(2)7-5-15(27)10-18(14)23/h5,7,10,14,16-17,19,22,26,28H,6,8-9,11-13H2,1-4H3/t14?,16-,17-,19?,22+,23-,24-,25-/m0/s1
• InChIKey: NEXOUHLTYXKETG-CQYWERSISA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 616.718°C at 760 mmHg (Cal.)
• Flash point: 205.938°C (Cal.)