| SpectraBase Spectrum ID |
B08IySorUR6 |
| Name |
Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,37,39,41,43,45,47-tetracosaene, (2E,8Z,14Z,20E,26Z,32Z)- |
| Alternate Name(s) |
cis,cis,trans,cis,cis,trans-[2(6)]-paracyclophanehexaene
heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-1(36),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,37,39,41,43,45,47-tetracosaene |
| CAS Registry Number |
84907-52-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H36 |
| InChI |
InChI=1S/C48H36/c1-2-38-4-3-37(1)25-26-39-5-7-41(8-6-39)29-30-43-13-15-45(16-14-43)33-34-47-21-23-48(24-22-47)36-35-46-19-17-44(18-20-46)32-31-42-11-9-40(10-12-42)28-27-38/h1-36H/b26-25-,28-27-,30-29-,32-31-,34-33-,36-35-,37-25-,38-27-,39-26-,40-28-,41-29-,42-31-,43-30-,44-32-,45-33-,46-35-,47-34-,48-36- |
| InChIKey |
PKZOQHXJMCIQCD-XTOPBTOXSA-N |
| Molecular Weight |
612.816 g/mol |
| SMILES |
c12\C=C/c3ccc(\C=C/c4ccc(\C=C/c5ccc(\C=C/c6ccc(\C=C/c7ccc(\C=C/c(cc2)cc1)cc7)cc6)cc5)cc4)cc3 |
| SPLASH |
splash10-03di-0000009000-e3d86a65bc88735f58d1 |
| Source of Spectrum |
SB-36-658-0 |
| Wiley ID |
1411110 |
![Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,37,39,41,43,45,47-tetracosaene, (2E,8Z,14Z,20E,26Z,32Z)-](/api/spectrum/B08IySorUR6/structure.png?h=300&w=458 "Heptacyclo[32.2.2.2(4,7).2(10,13).2(16,19).2(22,25).2(28,31)]octatetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,37,39,41,43,45,47-tetracosaene, (2E,8Z,14Z,20E,26Z,32Z)-")
