Rottlerin
[CAS# 82-08-6]

Identification

• Classification: Organic raw materials >> Alcohols, phenols, phenolic compounds and derivatives >> Halogenated, sulfonated, nitrated or nitrosated derivatives of alcohols
• Name: Rottlerin
• Synonyms: (E)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One; (E)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methyl-Phenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethyl-Chromen-8-Yl]-3-Phenyl-Prop-2-En-1-One; 1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methyl-Phenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethyl-Chromen-8-Yl]-3-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₃₀H₂₈O₈
• Molecular Weight: 516.55
• CAS Registry Number: 82-08-6
• EINECS: 201-395-4
• SMILES: C1=CC=CC=C1/C=C/C(C2=C(C(=C(C3=C2OC(C)(C)C=C3)O)CC4=C(C(=C(C(=C4O)C(C)=O)O)C)O)O)=O
• InChI: 1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+
• InChIKey: DEZFNHCVIZBHBI-ZHACJKMWSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Melting point: 200°C (Expl.)
• Boiling point: 800.443°C at 760 mmHg (Cal.)
• Flash point: 266.031°C (Cal.)
• solubility: Soluble to 2 mM in ethanol and to 100 mM in DMSO

References

• (1): Krutzik et al.. High-content single cell drug screening with phospho-specific flow cytometry, Nature Chemical Biology, 2007