4-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
[CAS# 1173-21-3]

Identification

• Name: 4-[(3S,5S,7S,10S,13R,14S,17R)-3,7,14-Trihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-5H-Furan-2-One
• Synonyms: 5-Beta-Card-20(22)-Enolide, 3-Beta,7-Beta,14-Trihydroxy-; 7-Beta-Hydroxydigitoxigenin [German]; 3-Beta,7-Beta,14-Trihydroxy-5-Beta-Card-20(22)-Enolide
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.52
• CAS Registry Number: 1173-21-3
• SMILES: [C@@]13(O)[C@@]([C@H](CC1)C2=CC(OC2)=O)(CCC4C3[C@@H](O)C[C@H]5[C@@]4(CC[C@H](O)C5)C)C
• InChI: 1S/C23H34O5/c1-21-6-3-15(24)10-14(21)11-18(25)20-17(21)4-7-22(2)16(5-8-23(20,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17?,18-,20?,21-,22+,23-/m0/s1
• InChIKey: JDQWKADNJIUBND-PFMLNQDQSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 589.371°C at 760 mmHg (Cal.)
• Flash point: 202.958°C (Cal.)