3-Methyldigitoxigenin
[CAS# 55547-62-1]

Identification

• Name: 3-Methyldigitoxigenin
• Synonyms: 3-Methyldigitoxigenin; Card-20(22)-Enolide, 3,14-Dihydroxy-3-Methyl-, (3Beta,5Beta)-
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 55547-62-1
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@](O)(CC2)C)C)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C24H36O4/c1-21(26)10-11-22(2)16(13-21)4-5-19-18(22)6-8-23(3)17(7-9-24(19,23)27)15-12-20(25)28-14-15/h12,16-19,26-27H,4-11,13-14H2,1-3H3/t16-,17-,18+,19-,21-,22+,23-,24?/m1/s1
• InChIKey: GWHJWJZEZYIWNA-XSMVBTPTSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 548.508°C at 760 mmHg (Cal.)
• Flash point: 184.879°C (Cal.)