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11,23-bis{[4'-(t-Butyl)phenoxy]methyl}-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
SpectraBase Compound ID CKUCIkr1KgW
InChI InChI=1S/C52H56O6/c1-51(2,3)43-15-19-45(20-16-43)57-31-33-23-39-27-35-11-9-13-37(49(35)55-7)29-41-25-34(32-58-46-21-17-44(18-22-46)52(4,5)6)26-42(48(41)54)30-38-14-10-12-36(50(38)56-8)28-40(24-33)47(39)53/h9-26,53-54H,27-32H2,1-8H3
InChIKey WSMCNARLBDZEKG-UHFFFAOYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C52H56O6
Exact Mass 776.40769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYPScgCN5WI
Name 11,23-bis{[4'-(t-Butyl)phenoxy]methyl}-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
Alternate Name(s) 11,23-bis[(4-tert-butylphenoxy)methyl]-26,28-dimethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,27-diol
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Formula C52H56O6
InChI InChI=1S/C52H56O6/c1-51(2,3)43-15-19-45(20-16-43)57-31-33-23-39-27-35-11-9-13-37(49(35)55-7)29-41-25-34(32-58-46-21-17-44(18-22-46)52(4,5)6)26-42(48(41)54)30-38-14-10-12-36(50(38)56-8)28-40(24-33)47(39)53/h9-26,53-54H,27-32H2,1-8H3
InChIKey WSMCNARLBDZEKG-UHFFFAOYSA-N
Molecular Weight 777.014 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)COc1ccc(C(C)(C)C)cc1)ccc5)OC)cc(c4)COc1ccc(C(C)(C)C)cc1)O)ccc3)OC
SPLASH splash10-000i-0900000000-ee2b6804fdc1c68107c9
Source of Spectrum SK-25-1116-6
Wiley ID 866610