| SpectraBase Spectrum ID |
FtXnL78RN6x |
| Name |
4,12,16,24,28,36-Hexahydroxy-5,11,17,23,29,35-hexa-tert-butylcalix[6]arene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C66H84O6 |
| InChI |
InChI=1S/C66H84O6/c1-61(2,3)49-28-37-19-38-23-45(57(69)50(29-38)62(4,5)6)35-46-26-41(32-53(58(46)70)65(13,14)15)21-42-27-48(60(72)54(33-42)66(16,17)18)36-47-25-40(31-52(59(47)71)64(10,11)12)20-39-24-44(34-43(22-37)55(49)67)56(68)51(30-39)63(7,8)9/h22-33,67-72H,19-21,34-36H2,1-18H3 |
| InChIKey |
VEIUWNPYWFSNEG-UHFFFAOYSA-N |
| Molecular Weight |
973.392 g/mol |
| SMILES |
Oc1c2Cc3cc(Cc4cc(Cc5cc(cc(c5O)C(C)(C)C)Cc5cc(c(c(Cc6cc(Cc(cc1C(C)(C)C)c2)cc(c6O)C(C)(C)C)c5)O)C(C)(C)C)c(c(c4)C(C)(C)C)O)cc(c3O)C(C)(C)C |
| SPLASH |
splash10-004i-0009000000-169f4310aa94a9cf8673 |
| Source of Spectrum |
F-53-3297-4 |
| Synonyms |
5,11,17,23,29,35-hexa-tert-butylheptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3,5,7(42),9(41),10,12,15(40),16,18,21(39),22,24,27,29,31(38),33,35-octadecaene-4,12,16,24,28,36-hexol |
| Wiley ID |
800954 |
![4,12,16,24,28,36-Hexahydroxy-5,11,17,23,29,35-hexa-tert-butylcalix[6]arene](/api/spectrum/FtXnL78RN6x/structure.png?h=300&w=458 "4,12,16,24,28,36-Hexahydroxy-5,11,17,23,29,35-hexa-tert-butylcalix[6]arene")
