Acovenoside A
[CAS# 663-95-6]

Identification

• Name: Acovenoside A
• Synonyms: 4-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,14-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-[(1R,3R,5R,10S,13R,14S,17R)-3-[[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,14-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-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Oxan-2-Yl]Oxy-1,14-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: C₃₀H₄₆O₉
• Molecular Weight: 550.69
• CAS Registry Number: 663-95-6
• EINECS: 211-555-5
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@H](CC1)C[C@@H](O[C@H]2OC([C@H](O)C(OC)C2O)C)C[C@H]3O)C)CC4)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15?,17-,18-,19-,20?,21?,22-,24+,25?,26?,27-,28-,29+,30+/m1/s1
• InChIKey: DKYDBQQIQAPGMH-INCJDWOASA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 734.341°C at 760 mmHg (Cal.)
• Flash point: 236.446°C (Cal.)