| SpectraBase Spectrum ID |
3uncbvOlyxG |
| Name |
Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-2,4,6,8(40),9,11(39),12,14,16,18,20,22,24(36),25,27(35),28,30,32,33,37-eicosa ene |
| Alternate Name(s) |
heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-1(32),2,4(40),5,7,9,11(39),12,14,16,18,20(38),21,23,25,27(37),28,30,33,35-icosaene
[2](1,5)naphthaleno(2)paracyclo[2](1,5)naphtholeno[2]paracyclophanetetraene
[2](2,6)naphthaleno[2]paracyclo[2](2,6)naphthaleno[2]paracyclophanetetraene |
| CAS Registry Number |
72862-26-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H28 |
| InChI |
InChI=1S/C40H28/c1-2-30-4-3-29(1)9-13-33-17-21-38-27-35(19-23-37(38)25-33)15-11-31-5-7-32(8-6-31)12-16-36-20-24-39-26-34(14-10-30)18-22-40(39)28-36/h1-28H/b13-9-,14-10-,15-11-,16-12-,29-9-,30-10-,31-11-,32-12-,33-13-,34-14+,35-15+,36-16- |
| InChIKey |
UOCYEMXRCKAHIS-AZYWUFLLSA-N |
| Molecular Weight |
508.664 g/mol |
| SMILES |
c12c3cc(\C=C/c4ccc(\C=C/c5cc6ccc(cc6cc5)\C=C/c5ccc(\C=C/c(c1)cc3)cc5)cc4)cc2 |
| SPLASH |
splash10-0a4i-0000090000-c886dc26d2b41972c284 |
| Source of Spectrum |
SB-33-447-0 |
| Wiley ID |
1400304 |
![Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-2,4,6,8(40),9,11(39),12,14,16,18,20,22,24(36),25,27(35),28,30,32,33,37-eicosa ene](/api/spectrum/3uncbvOlyxG/structure.png?h=300&w=458 "Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-2,4,6,8(40),9,11(39),12,14,16,18,20,22,24(36),25,27(35),28,30,32,33,37-eicosa ene")
