(11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl valerate
[CAS# 81456-46-4]

Identification

• Name: (11beta)-21-Acetoxy-11-hydroxy-3,20-dioxopregn-4-en-17-yl valerate
• Synonyms: 11β,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate 17-valerate
• Molecular Formula: C₂₈H₄₀O₇
• Molecular Weight: 488.61
• CAS Registry Number: 81456-46-4
• EINECS: 279-764-4
• SMILES: CC(=O)OCC(=O)[C@]2(CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C)OC(=O)CCCC
• InChI: 1S/C28H40O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h14,20-22,25,31H,5-13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
• InChIKey: YHLNSTMFAGIHSR-SLPNHVECSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 608.874°C at 760 mmHg (Cal.)
• Flash point: 194.722°C (Cal.)