Mezerein
[CAS# 34807-41-5]

Identification

• Name: Mezerein
• Synonyms: 2,4-Pentadienoic Acid, 5-Phenyl-, (2S,3Ar,3Bs,3Cs,4Ar,5S,5As,8Ar,8Br,9R,10R,10As)-3A,3B,3C,4A,5,5A,8A,9,10,10A-Decahydro-5,5A-Dihydroxy-4A-(Hydroxymethyl)-7,9-Dimethyl-10A-(1-Methylethenyl)-6-Oxo-2-Phenyl-6H-2,8B-Epoxyoxireno(6,7)Azulene(5,4-E)-1,3-Benzodioxol-10-Yl Ester, (2E,4E)-; Brn 1675867; Ccris 4674
• Molecular Formula: C₃₈H₃₈O₁₀
• Molecular Weight: 654.71
• CAS Registry Number: 34807-41-5
• SMILES: [C@@]136OC5(O[C@H]([C@@H]1[C@@H]2OC2([C@H]([C@]4([C@H]3C=C(C4=O)C)O)O)CO)[C@@](O5)([C@@H]([C@H]6C)OC(=O)\C=C\C=C\C7=CC=CC=C7)C(=C)C)C8=CC=CC=C8
• InChI: 1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34?,35-,36+,37+,38?/m1/s1
• InChIKey: DLEDLHFNQDHEOJ-CSWXFLMBSA-N

Properties

• Density: 1.439g/cm³ (Cal.)