| SpectraBase Spectrum ID |
AuUHwTKiE5s |
| Name |
26,28-Dihydroxy-25,27-dioxaocta-4-ene-2,6-diynyl-p-tert-butylcalix[4]arene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H60O4 |
| InChI |
InChI=1S/C52H60O4/c1-49(2,3)41-25-33-21-37-29-43(51(7,8)9)31-39-23-35-27-42(50(4,5)6)28-36(46(35)54)24-40-32-44(52(10,11)12)30-38(22-34(26-41)45(33)53)48(40)56-20-18-16-14-13-15-17-19-55-47(37)39/h13-14,25-32,53-54H,19-24H2,1-12H3/b14-13- |
| InChIKey |
UHQVIUKFTYPTMH-YPKPFQOOSA-N |
| Molecular Weight |
749.048 g/mol |
| SMILES |
Oc1c2Cc3c4c(Cc5c(c(Cc6c(c(Cc1cc(c2)C(C)(C)C)cc(c6)C(C)(C)C)OCC#C\C=C/C#CCO4)cc(c5)C(C)(C)C)O)cc(c3)C(C)(C)C |
| SPLASH |
splash10-0002-0000009000-917b999a63c5898cfb52 |
| Source of Spectrum |
J-61-4260-5 |
| Synonyms |
3,9,15,33-tetratert-butyl-19,28-dioxahexacyclo[15.12.7.1(7,11).1(31,35).0(5,29).0(13,18)]octatriaconta-1(29),2,4,7(38),8,10,13,15,17,23,31(37),32,34-tridecaene-21,25-diyne-37,38-diol |
| Wiley ID |
1416298 |
![26,28-Dihydroxy-25,27-dioxaocta-4-ene-2,6-diynyl-p-tert-butylcalix[4]arene](/api/spectrum/AuUHwTKiE5s/structure.png?h=300&w=458 "26,28-Dihydroxy-25,27-dioxaocta-4-ene-2,6-diynyl-p-tert-butylcalix[4]arene")
