CAS 1188423-16-6 Dimethoxypillar[5]arene - Materials / Alfa Chemistry

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Dimethoxypillar[5]arene

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Catalog Number

ACM1188423166

Product Name

Dimethoxypillar[5]arene

CAS

1188423-16-6

Category

Supramolecular Host Materials

IUPAC Name

4,9,14,19,24,26,28,30,32,34-decamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene

Molecular Weight

750.9g/mol

Molecular Formula

C45H50O10

Canonical SMILES

COC1=CC2=C(C=C1CC3=CC(=C(CC4=CC(=C(CC5=C(C=C(CC6=C(C=C(C2)C(=C6)OC)OC)C(=C5)OC)OC)C=C4OC)OC)C=C3OC)OC)OC

InChI

InChI=1S/C45H50O10/c1-46-36-16-27-12-29-19-41(51-6)31(21-40(29)50-5)14-33-23-45(55-10)35(25-44(33)54-9)15-34-24-42(52-7)32(22-43(34)53-8)13-30-20-38(48-3)28(18-39(30)49-4)11-26(36)17-37(27)47-2/h16-25H,11-15H2,1-10H3

InChI Key

HJDHAGKELBPBLT-UHFFFAOYSA-N

Complexity

850

Covalently-Bonded Unit Count

Exact Mass

750.340398g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

750.340398g/mol

Rotatable Bond Count