2,17,22,32-Tetrakis(1,1-Dimethylethyl)-6,7,9,10,12,13-Hexahydro-25H-4,15-(Methano[1,3]Benzenomethano)-20,24-Metheno-19H-Dibenzo[k,t][1,4,7,10]Tetraoxacycloheneicosin-26,29-Diol
[CAS# 171058-95-0]

Identification

• Name: 2,17,22,32-Tetrakis(1,1-Dimethylethyl)-6,7,9,10,12,13-Hexahydro-25H-4,15-(Methano[1,3]Benzenomethano)-20,24-Metheno-19H-Dibenzo[k,t][1,4,7,10]Tetraoxacycloheneicosin-26,29-Diol
• Molecular Formula: C₅₀H₆₆O₆
• Molecular Weight: 763.07
• CAS Registry Number: 171058-95-0
• SMILES: C26=C5OCCOCCOCCOC3=C(CC1=CC(=CC(=C1O)C2)C(C)(C)C)C=C(C=C3CC4=C(O)C(=CC(=C4)C(C)(C)C)CC5=CC(=C6)C(C)(C)C)C(C)(C)C
• InChI: 1S/C50H66O6/c1-47(2,3)39-23-31-19-35-27-41(49(7,8)9)29-37-21-33-25-40(48(4,5)6)26-34(44(33)52)22-38-30-42(50(10,11)12)28-36(20-32(24-39)43(31)51)46(38)56-18-16-54-14-13-53-15-17-55-45(35)37/h23-30,51-52H,13-22H2,1-12H3
• InChIKey: RCERBHWPEFMVHU-UHFFFAOYSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 766.436°C at 760 mmHg (Cal.)
• Flash point: 417.326°C (Cal.)