(22R)-17,27-Dihydroxy-22,26-Epoxyergosta-2,5,14,24-Tetraene-1,26-Dione
[CAS# 55483-04-0]

Identification

• Name: (22R)-17,27-Dihydroxy-22,26-Epoxyergosta-2,5,14,24-Tetraene-1,26-Dione
• Synonyms: withanolide N
• Molecular Formula: C₂₈H₃₆O₅
• Molecular Weight: 452.58
• CAS Registry Number: 55483-04-0
• SMILES: O=C4/C=C\C\C3=C\C[C@H]2C\5=C\C[C@](O)([C@H](C)[C@H]1CC(/C)=C(/CO)C(=O)O1)[C@@]/5(C)CC[C@@H]2[C@]34C
• InChI: 1S/C28H36O5/c1-16-14-23(33-25(31)20(16)15-29)17(2)28(32)13-11-21-19-9-8-18-6-5-7-24(30)27(18,4)22(19)10-12-26(21,28)3/h5,7-8,11,17,19,22-23,29,32H,6,9-10,12-15H2,1-4H3/t17-,19+,22+,23-,26+,27+,28+/m1/s1
• InChIKey: FIQAJJNJIBXRNB-ALUBXIJSSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 672.334°C at 760 mmHg (Cal.)
• Flash point: 224.244°C (Cal.)