Melandrioside A
[CAS# 142628-19-1]

Identification

• Name: Melandrioside A
• Synonyms: 6-[(4-Formyl-10-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-8-Oxo-1,2,3,4A,5,6,7,8A,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3-Hydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; 6-[(4-Formyl-10-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-8-Oxo-1,2,3,4A,5,6,7,8A,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3-Hydroxy-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; 6-[(4-Formyl-10-Hydroxy-8-Keto-4,6A,6B,11,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8A,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3-Hydroxy-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₇H₇₂O₁₉
• Molecular Weight: 941.07
• CAS Registry Number: 142628-19-1
• SMILES: C(O)C8OC(OC6C(OC5C(C4C(C1C(C2(C(=CC1)C3C(C(=O)C2)CC(O)C(C3)(C)C)C)(CC4)C)(CC5)C)(C=O)C)OC(C(O)C6OC7OC(C(O)C(O)C7O)C)C(=O)O)C(O)C(O)C8O
• InChI: 1S/C47H72O19/c1-19-29(52)31(54)33(56)40(61-19)64-36-35(58)37(39(59)60)65-42(38(36)66-41-34(57)32(55)30(53)24(17-48)62-41)63-28-11-12-44(4)25(45(28,5)18-49)10-13-46(6)26(44)9-8-22-21-15-43(2,3)27(51)14-20(21)23(50)16-47(22,46)7/h8,18-21,24-38,40-42,48,51-58H,9-17H2,1-7H3,(H,59,60)
• InChIKey: RJMAQKQCAFVGQF-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 1046.152°C at 760 mmHg (Cal.)
• Flash point: 300.593°C (Cal.)