| SpectraBase Spectrum ID |
Gn9jtLMgykT |
| Name |
21-Oxapentacyclo[21.3.1.1(3,7).1(9,13).1(15,19)]triaconta-1(27),3,5,7(30),9,11,13(29),15,17,19(28),23,25-dodecaene-27,28,29,30-tetrol, 5,11,17,25-tetrakis(1,1-dimethylethyl)- |
| Alternate Name(s) |
5,11,17,25-tetratert-butyl-21-oxapentacyclo[21.3.1.1(3,7).1(9,13).1(15,19)]triaconta-1(27),3(30),4,6,9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol
7,13,19,25-Tetra-tert-butyl-27,28,29,30-tetrahydroxy-2,3-bishomo-3-oxacalix[4]arene
p-tert-butyloxacalix[4]arene |
| CAS Registry Number |
72251-68-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H58O5 |
| InChI |
InChI=1S/C45H58O5/c1-42(2,3)34-16-26-13-27-17-35(43(4,5)6)19-29(39(27)47)15-31-21-37(45(10,11)12)23-33(41(31)49)25-50-24-32-22-36(44(7,8)9)20-30(40(32)48)14-28(18-34)38(26)46/h16-23,46-49H,13-15,24-25H2,1-12H3 |
| InChIKey |
PVAYPHWSUUANLG-UHFFFAOYSA-N |
| Molecular Weight |
678.954 g/mol |
| SMILES |
Oc1c2Cc3c(c(COCc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)O)cc(c4)C(C)(C)C)O)cc(c3)C(C)(C)C)O |
| SPLASH |
splash10-004i-0000009000-0063baf529499c5abca9 |
| Source of Spectrum |
C-103-3789-0 |
| Wiley ID |
1414285 |
![21-Oxapentacyclo[21.3.1.1(3,7).1(9,13).1(15,19)]triaconta-1(27),3,5,7(30),9,11,13(29),15,17,19(28),23,25-dodecaene-27,28,29,30-tetrol, 5,11,17,25-tetrakis(1,1-dimethylethyl)-](/api/spectrum/Gn9jtLMgykT/structure.png?h=300&w=458 "21-Oxapentacyclo[21.3.1.1(3,7).1(9,13).1(15,19)]triaconta-1(27),3,5,7(30),9,11,13(29),15,17,19(28),23,25-dodecaene-27,28,29,30-tetrol, 5,11,17,25-tetrakis(1,1-dimethylethyl)-")
