CAS 97600-39-0 Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate

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Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate

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Catalog Number

ACM97600390-1

Product Name

Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate

Structure

CAS

97600-39-0

Category

Macrocycles

IUPAC Name

ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate

Molecular Weight

993.3g/mol

Molecular Formula

C60H80O12

Canonical SMILES

CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C

InChI

InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3

InChI Key

HZHADWCIBZZJNV-UHFFFAOYSA-N

Complexity

1420

Covalently-Bonded Unit Count

EC Number

619-280-6

Exact Mass

992.564978g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass