Didesacetylphyllanthostatin 3
[CAS# 132282-95-2]

Identification

• Name: Didesacetylphyllanthostatin 3
• Synonyms: [4,5-Dihydroxy-6-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl] 3-Hydroxy-3-(Hydroxymethyl)-5'-Methyl-4'-[(E)-3-Phenylprop-2-Enoyl]Oxy-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]-6-Carboxylate; 3-Hydroxy-3-(Hydroxymethyl)-5'-Methyl-4'-[(E)-1-Oxo-3-Phenylprop-2-Enoxy]-6-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]Carboxylic Acid [4,5-Dihydroxy-6-Methyl-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl] Ester; 3-Hydroxy-5'-Methyl-3-Methylol-4'-[(E)-3-Phenylacryloyl]Oxy-Spiro[3A,4,5,6,7,7A-Hexahydrobenzofuran-2,2'-Tetrahydropyran]-6-Carboxylic Acid [4,5-Dihydroxy-6-Methyl-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₃₆H₅₀O₁₆
• Molecular Weight: 738.78
• CAS Registry Number: 132282-95-2
• SMILES: C6=C(/C=C/C(OC1CC5(OCC1C)OC4CC(C(=O)OC3C(OC2C(C(C(C(O2)C)O)O)O)C(C(C(O3)C)O)O)CCC4C5(O)CO)=O)C=CC=C6
• InChI: 1S/C36H50O16/c1-17-15-46-36(14-24(17)49-25(38)12-9-20-7-5-4-6-8-20)35(45,16-37)22-11-10-21(13-23(22)52-36)32(44)51-34-31(29(42)27(40)19(3)48-34)50-33-30(43)28(41)26(39)18(2)47-33/h4-9,12,17-19,21-24,26-31,33-34,37,39-43,45H,10-11,13-16H2,1-3H3/b12-9+
• InChIKey: NFIKENQZHUEHDM-FMIVXFBMSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 902.163°C at 760 mmHg (Cal.)
• Flash point: 277.091°C (Cal.)