4-tert-Butylcalix[4]arene tetraacetic acid
3364
Reference
4-tert-Butylcalix[4]arene tetraacetic acid Structure
Systematic / IUPAC Name: 2,2',2'',2'''-{[5,11,17,23-Tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrayl]tetrakis(oxy)}tetraacetic acid
ID: Reference3364
Other Names:
Formula: C52H64O12
Spectral Data
4-tert-Butylcalix[4]arene tetraacetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 182 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 6/19/2017 7:22:42 AM |
Identificators
| InChI | InChI=1S/C52H64O12/c1-49(2,3)37-17-29-13-31-19-38(50(4,5)6)21-33(46(31)62-26-42(55)56)15-35-23-40(52(10,11)12)24-36(48(35)64-28-44(59)60)16-34-22-39(51(7,8)9)20-32(47(34)63-27-43(57)58)14-30(18-37)45(29)61-25-41(53)54/h17-24H,13-16,25-28H2,1-12H3,(H,53,54)(H,55,56)(H,57,58)(H,59,60) |
| InChI Key | ZETVCUDJYLSJEM-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OCC(=O)O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OCC(=O)O |
| CAS | |
| Splash | |
| Other Names |
In Other Databases
| ChEMBL | CHEMBL601099 |
| ChemSpider | 2015430 |
| PubChem | 2733653 |