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19724

Sigma-Aldrich

4-tert-Butylcalix[8]arene

purum, ≥95.0% (HPLC)

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About This Item

Empirical Formula (Hill Notation):
C88H112O8
CAS Number:
68971-82-4
Molecular Weight:
1297.83
Beilstein:
2612052
MDL number:
MFCD00075392
UNSPSC Code:
12350000
PubChem Substance ID:
24851346

grade

purum

Assay

≥95.0% (HPLC)

mp

411-412 °C (lit.)

SMILES string

CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc(c1)c2O)c9O)C(C)(C)C)c8O)C(C)(C)C)c7O)C(C)(C)C)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C

InChI

1S/C88H112O8/c1-81(2,3)65-33-49-25-51-35-66(82(4,5)6)37-53(74(51)90)27-55-39-68(84(10,11)12)41-57(76(55)92)29-59-43-70(86(16,17)18)45-61(78(59)94)31-63-47-72(88(22,23)24)48-64(80(63)96)32-62-46-71(87(19,20)21)44-60(79(62)95)30-58-42-69(85(13,14)15)40-56(77(58)93)28-54-38-67(83(7,8)9)36-52(75(54)91)26-50(34-65)73(49)89/h33-48,89-96H,25-32H2,1-24H3

InChI key

OLZFZIXORGGLLS-UHFFFAOYSA-N

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Other Notes

Calixarenes are basket-shaped compounds of potential interest for host-guest complexation studies; Reviews[1]

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C.D. Gutsche
Calixarenes, Monographs in Supramolecular Chemistry (1989)

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