Tomanol
[CAS# 8058-14-8]

Identification

• Name: Tomanol
• Synonyms: 4-Butyl-1,2-Diphenyl-Pyrazolidine-3,5-Dione; (E)-3-(3-Hydroxy-4-Methoxy-Phenyl)-1-[2-Hydroxy-6-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-En-1-One; 4-(Isopropylamino)-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 4-Butyl-1,2-Diphenylpyrazolidine-3,5-Dione; (E)-3-(3-Hydroxy-4-Methoxyphenyl)-1-[2-Hydroxy-6-Methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-En-1-One; 4-(Isopropylamino)-1,5-Dimethyl-2-Phenyl-3-Pyrazolone
• Molecular Formula: C₆₂H₇₅N₅O₁₈
• Molecular Weight: 1178.30
• CAS Registry Number: 8058-14-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)OC3=CC(=C(C(=C3)O)C(=O)\C=C\C4=CC=C(OC)C(=C4)O)OC.C7=C(N5N(C(=O)C(C5=O)CCCC)C6=CC=CC=C6)C=CC=C7.C9=C(N8N(C(=C(NC(C)C)C8=O)C)C)C=CC=C9
• InChI: 1S/C29H36O15.C19H20N2O2.C14H19N3O/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13;1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h4-10,12,20,22-29,31-38H,11H2,1-3H3;4-13,17H,2-3,14H2,1H3;5-10,15H,1-4H3/b6-4+;;/t12-,20+,22-,23+,24+,25-,26+,27+,28+,29+;;/m0../s1
• InChIKey: SXIJWYFINDDKBP-LTNQXMAHSA-N

Properties

• Boiling point: 953°C at 760 mmHg (Cal.)
• Flash point: 309.5°C (Cal.)