| SpectraBase Spectrum ID |
1QpuM4a9HYa |
| Name |
16,24,46-Trithiadecacyclo[18.18.6.3(12,28).2(6,9).2-(31,34).2(41,44).1.(3,37).1(10,14).1(18,22).1(26,30)]heptapentaconta-1,3-(54),6,8,10,12,14(55),18,20,22(56),26,28,30(57),31,33,37,41,43,48,50,52-henicosaene |
| Alternate Name(s) |
16,24,46-trithiadecacyclo[18.18.6.3(12,28).2(6,9).2(31,34).2(41,44).1(3,37).1(10,14).1(18,22).1(26,30)]heptapentaconta-1,3(54),6,8,10(57),11,13,18(56),19,21,26(55),27,29,31,33,37,41,43,48,50,52-henicosaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H48S3 |
| InChI |
InChI=1S/C54H48S3/c1-4-40-19-41-5-2-38-9-15-50(16-10-38)53-27-45-23-47(29-53)35-57-36-48-24-46(28-54(30-48)51-17-11-39(12-18-51)3-6-42(20-40)21-41)34-56-32-44-22-43(31-55-33-45)25-52(26-44)49-13-7-37(1)8-14-49/h7-30H,1-6,31-36H2 |
| InChIKey |
MKBJRLRDWYFYEG-UHFFFAOYSA-N |
| Molecular Weight |
793.158 g/mol |
| SMILES |
c12-c3ccc(cc3)CCc3cc4CCc5ccc(-c6cc7CSCc(c1)cc(c2)CSCc1cc(-c2ccc(cc2)CCc(c3)c4)cc(c1)CSCc(c6)c7)cc5 |
| SPLASH |
splash10-0006-0000001900-4bb34f7bd92488436cde |
| Source of Spectrum |
QE-2-1593-24 |
| Wiley ID |
842831 |
![16,24,46-Trithiadecacyclo[18.18.6.3(12,28).2(6,9).2-(31,34).2(41,44).1.(3,37).1(10,14).1(18,22).1(26,30)]heptapentaconta-1,3-(54),6,8,10,12,14(55),18,20,22(56),26,28,30(57),31,33,37,41,43,48,50,52-henicosaene](/api/spectrum/1QpuM4a9HYa/structure.png?h=300&w=458 "16,24,46-Trithiadecacyclo[18.18.6.3(12,28).2(6,9).2-(31,34).2(41,44).1.(3,37).1(10,14).1(18,22).1(26,30)]heptapentaconta-1,3-(54),6,8,10,12,14(55),18,20,22(56),26,28,30(57),31,33,37,41,43,48,50,52-henicosaene")
