Thapsigargicin
[CAS# 67526-94-7]

Identification

• Name: Thapsigargicin
• Synonyms: [(3R,3As,4S,6S,7R)-6-Acetoxy-4-Butanoyloxy-3,3A-Dihydroxy-3,6,9-Trimethyl-8-[(E)-2-Methylbut-2-Enoyl]Oxy-2-Oxo-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-7-Yl] Hexanoate; Hexanoic Acid [(3R,3As,4S,6S,7R)-6-Acetoxy-3,3A-Dihydroxy-3,6,9-Trimethyl-8-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-2-Oxo-4-(1-Oxobutoxy)-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-7-Yl] Ester; Hexanoic Acid [(3R,3As,4S,6S,7R)-6-Acetoxy-4-Butyryloxy-3,3A-Dihydroxy-2-Keto-3,6,9-Trimethyl-8-[(E)-2-Methylbut-2-Enoyl]Oxy-4,5,6A,7,8,9B-Hexahydroazuleno[4,5-B]Furan-7-Yl] Ester
• Molecular Formula: C₃₂H₄₆O₁₂
• Molecular Weight: 622.71
• CAS Registry Number: 67526-94-7
• SMILES: [C@@]13(O)C(OC(=O)[C@@]1(O)C)C2=C(C(OC(=O)C(/C)=C/C)[C@H](OC(=O)CCCCC)C2[C@@](OC(=O)C)(C[C@@H]3OC(=O)CCC)C)C
• InChI: 1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11+/t20-,24?,25?,26+,27?,30-,31-,32-/m0/s1
• InChIKey: LXWLOFYIORKNSA-VPFCRTNDSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 673.279°C at 760 mmHg (Cal.)
• Flash point: 203.833°C (Cal.)