(13R,22R)-13,14:18,20-Diepoxy-14,18,22-Trihydroxy-1-Oxo-13,14-Secoergosta-2,5,24-Trien-26-Oic Acid 26,22-Lactone
[CAS# 57485-60-6]

Identification

• Name: (13R,22R)-13,14:18,20-Diepoxy-14,18,22-Trihydroxy-1-Oxo-13,14-Secoergosta-2,5,24-Trien-26-Oic Acid 26,22-Lactone
• Synonyms: Withaphysalin C
• Molecular Formula: C₂₈H₃₆O₇
• Molecular Weight: 484.59
• CAS Registry Number: 57485-60-6
• SMILES: CC4(OC(O)C35OC(O)(C1C(C2(C(=CC1)C=CCC2=O)C)CC3)CCC45)C6OC(=O)C(=C(C6)C)C
• InChI: 1S/C28H36O7/c1-15-14-22(33-23(30)16(15)2)26(4)20-11-13-28(32)19-9-8-17-6-5-7-21(29)25(17,3)18(19)10-12-27(20,35-28)24(31)34-26/h5-6,8,18-20,22,24,31-32H,7,9-14H2,1-4H3
• InChIKey: KCDDRMMSSUETPV-UHFFFAOYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 712.162°C at 760 mmHg (Cal.)
• Flash point: 238.13°C (Cal.)