| SpectraBase Spectrum ID |
AAaYljcqZ8P |
| Name |
1,18(1,3,2)-Dibenzena-35(4,10)-{all-exo-3,5,9,11-tetraoxa-4,10-diboratetracyclo[5.5.1.0(2,6).0(8,12)]tridecana}bicyclo[16.16.1]pentatriacontaphane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H70B2O8 |
| InChI |
InChI=1S/C47H70B2O8/c1-2-6-10-14-18-22-32-51-39-28-26-30-41-43(39)49-56-46-36-35-37(47(46)57-49)45-44(36)54-48(55-45)42-38(50-31-21-17-13-9-5-1)27-25-29-40(42)52-33-23-19-15-11-7-3-4-8-12-16-20-24-34-53-41/h25-30,36-37,44-47H,1-24,31-35H2/t36-,37+,44+,45-,46-,47+ |
| InChIKey |
KFFGLVIATHKPQZ-IYFHYMOTSA-N |
| Molecular Weight |
784.689 g/mol |
| SMILES |
[C@@]12(OB3O[C@]1([C@@]1([C@]4(OB(O[C@]4([C@]2(C1)[H])[H])c1c2OCCCCCCCCCCCCCCOc4c3c(OCCCCCCCCCCCCCCOc1ccc2)ccc4)[H])[H])[H])[H] |
| SPLASH |
splash10-001i-0002000900-56a71218361b8d069cbd |
| Source of Spectrum |
K1-0-912-8 |
| Wiley ID |
1588403 |
![#8;1,18(1,3,2)-DIBENZENA-35(4,10)-[ALL-EXO-3,5,9,11-TETRAOXA-4,10-DIBORATETRACYCLO-[5.5.1.0(2,6).0(8,12)]-TRIDECANA]-BICYCLO-[16.16.1]-PENTATRIACONTAPHANE](/api/spectrum/AAaYljcqZ8P/structure.png?h=300&w=458 "#8;1,18(1,3,2)-DIBENZENA-35(4,10)-[ALL-EXO-3,5,9,11-TETRAOXA-4,10-DIBORATETRACYCLO-[5.5.1.0(2,6).0(8,12)]-TRIDECANA]-BICYCLO-[16.16.1]-PENTATRIACONTAPHANE")
