| SpectraBase Spectrum ID |
CKihhw8wgWI |
| Name |
Heptacyclo[13.13.9.1(3,27).1(6,10).1(13,17).1(20,24).1(31,35)]dotetraconta-1,3(39),6,8,10(42),13,15,17(41),20,22,24(40),27,31,33,35(38)-pentadecaene |
| Alternate Name(s) |
Heptacyclo[13.13.9.1(3,27).1(6,10).1(13,17).1(20,24).1(31,35)]dotetraconta-1,3(39),6(42),7,9,13(41),14,16,20(40),21,23,27,31(38),32,34-pentadecaene
[2(6)]-(1,3,5)(3)bicyclophane |
| CAS Registry Number |
81236-49-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H42 |
| InChI |
InChI=1S/C42H42/c1-4-31-10-16-37-25-39-18-12-33-6-2-7-34(23-33)13-19-40-26-38(17-11-32(5-1)22-31)28-42(30-40)21-15-36-9-3-8-35(24-36)14-20-41(27-37)29-39/h1-9,22-30H,10-21H2 |
| InChIKey |
WBGGFEFZHOIQPJ-UHFFFAOYSA-N |
| Molecular Weight |
546.798 g/mol |
| SMILES |
c12cc3CCc4cc(CCc5cc(CCc6cc(CC2)ccc6)cc(c5)CCc2cc(CCc(c1)c3)ccc2)ccc4 |
| SPLASH |
splash10-052b-0090160000-6d8fe53cdd61e70a97b5 |
| Source of Spectrum |
SB-36-667-0 |
| Wiley ID |
1405342 |
![Heptacyclo[13.13.9.1(3,27).1(6,10).1(13,17).1(20,24).1(31,35)]dotetraconta-1,3(39),6,8,10(42),13,15,17(41),20,22,24(40),27,31,33,35(38)-pentadecaene](/api/spectrum/CKihhw8wgWI/structure.png?h=300&w=458 "Heptacyclo[13.13.9.1(3,27).1(6,10).1(13,17).1(20,24).1(31,35)]dotetraconta-1,3(39),6,8,10(42),13,15,17(41),20,22,24(40),27,31,33,35(38)-pentadecaene")
