22-Methylene-20,22-Dihydrodigitoxigenin
[CAS# 69489-48-1]

Identification

• Name: 22-Methylene-20,22-Dihydrodigitoxigenin
• Synonyms: (4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-3-Methylene-Tetrahydrofuran-2-One; (4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-3-Methylene-2-Tetrahydrofuranone; (4S)-4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-3-Methylidene-Oxolan-2-One
• Molecular Formula: C₂₄H₃₆O₄
• Molecular Weight: 388.55
• CAS Registry Number: 69489-48-1
• SMILES: [C@H]34C2(O)[C@@]([C@@H]([C@H]1C(C(OC1)=O)=C)CC2)(CC[C@@H]3[C@@]5([C@H](CC4)C[C@@H](O)CC5)C)C
• InChI: 1S/C24H36O4/c1-14-17(13-28-21(14)26)18-8-11-24(27)20-5-4-15-12-16(25)6-9-22(15,2)19(20)7-10-23(18,24)3/h15-20,25,27H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19+,20-,22+,23-,24?/m1/s1
• InChIKey: NBSKUOHKDWPXAA-HXIBYZCASA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 553.008°C at 760 mmHg (Cal.)
• Flash point: 186.7°C (Cal.)