7-Hydroxydigitoxin
[CAS# 18810-27-0]

Identification

• Name: 7-Hydroxydigitoxin
• Synonyms: 4-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy]-6-Methyl-Tetrahydropyran-2-Yl]Oxy-7,14-Dihydroxy-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; 4-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-6-Methyl-2-Tetrahydropyranyl]Oxy]-7,14-Dihydroxy-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; 4-[(3S,5R,7S,8S,9S,10S,13R,17R)-3-[(2S,4S,5R,6R)-4,5-Bis[[(2R,4S,5S,6R)-4,5-Dihydroxy-6-Methyl-Oxan-2-Yl]Oxy]-6-Methyl-Oxan-2-Yl]Oxy-7,14-Dihydroxy-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
• Molecular Formula: C₄₁H₆₄O₁₄
• Molecular Weight: 780.95
• CAS Registry Number: 18810-27-0
• SMILES: [C@H]16[C@@H]([C@@]5([C@H](C[C@@H]1O)C[C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H](O)C2)C)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@@H](O)C3)C)C4)C)CC5)C)CC[C@]7(C6(O)CC[C@@H]7C8=CC(OC8)=O)C
• InChI: 1S/C41H64O14/c1-19-36(46)28(43)15-32(50-19)54-30-17-34(52-21(3)38(30)55-33-16-29(44)37(47)20(2)51-33)53-24-6-9-39(4)23(13-24)14-27(42)35-26(39)7-10-40(5)25(8-11-41(35,40)48)22-12-31(45)49-18-22/h12,19-21,23-30,32-38,42-44,46-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23+,24+,25-,26+,27+,28+,29+,30+,32-,33-,34-,35+,36-,37-,38-,39+,40-,41?/m1/s1
• InChIKey: DQJAXSGRHYCYTQ-KQMLXJBFSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 911.909°C at 760 mmHg (Cal.)
• Flash point: 271.91°C (Cal.)