![2,9,6,23,30,37,44-Heptaoxooctacyclo[43.4.0(3,8).0(10,15),0(17,22).0(24,29).0(31,36).0(38,43)]nonatetraconta-1(45),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,31(36),32,34,38(43),39,41,46,48-henicisaene](/api/spectrum/6jpGIhEVcGH/structure.png?h=300&w=458 "2,9,6,23,30,37,44-Heptaoxooctacyclo[43.4.0(3,8).0(10,15),0(17,22).0(24,29).0(31,36).0(38,43)]nonatetraconta-1(45),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,31(36),32,34,38(43),39,41,46,48-henicisaene")
| SpectraBase Compound ID | JTEVmBV90Z7 |
|---|---|
| InChI | InChI=1S/C49H28O7/c50-43-29-15-1-2-16-30(29)44(51)33-19-5-6-20-34(33)46(53)37-23-9-10-24-38(37)48(55)41-27-13-14-28-42(41)49(56)40-26-12-11-25-39(40)47(54)36-22-8-7-21-35(36)45(52)32-18-4-3-17-31(32)43/h1-28H |
| InChIKey | LIABHJKPTVGQGI-UHFFFAOYSA-N |
| Mol Weight | 728.8 g/mol |
| Molecular Formula | C49H28O7 |
| Exact Mass | 728.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6jpGIhEVcGH |
|---|---|
| Name | 2,9,6,23,30,37,44-Heptaoxooctacyclo[43.4.0(3,8).0(10,15),0(17,22).0(24,29).0(31,36).0(38,43)]nonatetraconta-1(45),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,31(36),32,34,38(43),39,41,46,48-henicisaene |
| Alternate Name(s) | 5H-heptabenzo[a,d,g,j,m,p,s]cyclohenicosene-5,10,15,20,25,30,35-heptone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H28O7 |
| InChI | InChI=1S/C49H28O7/c50-43-29-15-1-2-16-30(29)44(51)33-19-5-6-20-34(33)46(53)37-23-9-10-24-38(37)48(55)41-27-13-14-28-42(41)49(56)40-26-12-11-25-39(40)47(54)36-22-8-7-21-35(36)45(52)32-18-4-3-17-31(32)43/h1-28H |
| InChIKey | LIABHJKPTVGQGI-UHFFFAOYSA-N |
| Molecular Weight | 728.756 g/mol |
| SMILES | C1(c2c(C(c3c(C(c4c(C(c5ccccc5C(c5c(C(c6c(C(c7c1cccc7)=O)cccc6)=O)cccc5)=O)=O)cccc4)=O)cccc3)=O)cccc2)=O |
| SPLASH | splash10-03fr-0933000800-0004e3c2f32a165588c9 |
| Source of Spectrum | J-59-883-20 |
| Wiley ID | 1415879 |