3,14-Dihydroxycarda-4,20(22)-dienolide
[CAS# 1778-88-7]

Identification

• Name: 3,14-Dihydroxycarda-4,20(22)-dienolide
• Synonyms: 3,14-Dihydroxycarda-4,20(22)-Dienolide; Digitoxigenin-4-En; Nsc237527
• Molecular Formula: C₂₃H₃₂O₄
• Molecular Weight: 372.50
• CAS Registry Number: 1778-88-7
• SMILES: CC34C(O)(C2C(C1(C(=CC(O)CC1)CC2)C)CC3)CCC4C5=CC(OC5)=O
• InChI: 1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11-12,16-19,24,26H,3-10,13H2,1-2H3
• InChIKey: UVVGWNHIKZRQLP-UHFFFAOYSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 565.807°C at 760 mmHg (Cal.)
• Flash point: 195.737°C (Cal.)