16beta-Hydroxy-3,11-Dioxopregna-4,17(20)-Dien-21-Oic Acid gamma-Lactone
[CAS# 337-68-8]

Identification

• Name: 16beta-Hydroxy-3,11-Dioxopregna-4,17(20)-Dien-21-Oic Acid gamma-Lactone
• Synonyms: C14637; Nsc88535; Pregna-4,17(20)-Dien-21-Oic Acid, 16.Beta.-Hydroxy-3,11-Dioxo-, .Gamma.-Lactone
• Molecular Formula: C₂₁H₂₄O₄
• Molecular Weight: 340.42
• CAS Registry Number: 337-68-8
• SMILES: [C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(C3)=O)C[C@H]5C4=CC(=O)O5)C
• InChI: 1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1
• InChIKey: RBULKOMEEZXUGR-BIOQOPCMSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 574.646°C at 760 mmHg (Cal.)
• Flash point: 253.591°C (Cal.)