Rohitukin
[CAS# 62653-92-3]

Identification

• Name: Rohitukin
• Synonyms: [6-(4-Acetoxy-5,9A-Dimethyl-2,7-Dioxo-4,5A,6,9-Tetrahydro-3H-Pyrano[5,4-B]Oxepin-5-Yl)-5-Formyloxy-3-(3-Furyl)-7A-Hydroxy-3A-Methyl-7-Methylene-1-Oxo-3,4,5,6-Tetrahydro-2H-Inden-4-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [6-(4-Acetoxy-5,9A-Dimethyl-2,7-Dioxo-4,5A,6,9-Tetrahydro-3H-Pyrano[5,4-B]Oxepin-5-Yl)-5-Formyloxy-3-(3-Furyl)-7A-Hydroxy-3A-Methyl-7-Methylene-1-Oxo-3,4,5,6-Tetrahydro-2H-Inden-4-Yl] Ester; 3-Methylbutyric Acid [6-(4-Acetoxy-2,7-Diketo-5,9A-Dimethyl-4,5A,6,9-Tetrahydro-3H-Pyrano[5,4-B]Oxepin-5-Yl)-5-Formyloxy-3-(3-Furyl)-7A-Hydroxy-1-Keto-3A-Methyl-7-Methylene-3,4,5,6-Tetrahydro-2H-Inden-4-Yl] Ester
• Molecular Formula: C₃₄H₄₂O₁₃
• Molecular Weight: 658.70
• CAS Registry Number: 62653-92-3
• SMILES: C5=C(C4C3(C(C(=C)C(C1(C2C(OC(CC1OC(=O)C)=O)(COC(C2)=O)C)C)C(C3OC(=O)CC(C)C)OC=O)(C(=O)C4)O)C)C=CO5
• InChI: 1S/C34H42O13/c1-17(2)10-26(39)46-30-29(44-16-35)28(18(3)34(41)23(37)11-21(33(30,34)7)20-8-9-42-14-20)32(6)22-12-25(38)43-15-31(22,5)47-27(40)13-24(32)45-19(4)36/h8-9,14,16-17,21-22,24,28-30,41H,3,10-13,15H2,1-2,4-7H3
• InChIKey: BGIQNWKPRGQOMD-UHFFFAOYSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 771.469°C at 760 mmHg (Cal.)
• Flash point: 420.369°C (Cal.)