(4beta,22R)-4,17-Dihydroxy-22,26-Epoxyergosta-2,5,8(14),24-Tetraene-1,26-Dione
[CAS# 55483-05-1]

Identification

• Name: (4beta,22R)-4,17-Dihydroxy-22,26-Epoxyergosta-2,5,8(14),24-Tetraene-1,26-Dione
• Synonyms: withanolide O
• Molecular Formula: C₂₈H₃₆O₅
• Molecular Weight: 452.58
• CAS Registry Number: 55483-05-1
• SMILES: C[C@]53C(=O)/C=C\[C@H](O)\C5=C\C\C2=C4/CC[C@](O)([C@H](C)[C@H]1CC(/C)=C(/C)C(=O)O1)[C@@]4(C)CC[C@@H]23
• InChI: 1S/C28H36O5/c1-15-14-23(33-25(31)16(15)2)17(3)28(32)13-11-19-18-6-7-21-22(29)8-9-24(30)27(21,5)20(18)10-12-26(19,28)4/h7-9,17,20,22-23,29,32H,6,10-14H2,1-5H3/t17-,20+,22+,23-,26+,27-,28+/m1/s1
• InChIKey: OBDQWQCFPJHUIL-GWNFNWAFSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 669.282°C at 760 mmHg (Cal.)
• Flash point: 223.09°C (Cal.)