![2,9,16-Trioxoheptacyclo[36.4.0.0(3,8).0(10,15).0)17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene](/api/spectrum/F2WRCpTbKmC/structure.png?h=300&w=458 "2,9,16-Trioxoheptacyclo[36.4.0.0(3,8).0(10,15).0)17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene")
| SpectraBase Compound ID | ISIWWcKJFJ2 |
|---|---|
| InChI | InChI=1S/C42H30O3/c43-40-34-19-7-5-17-32(34)26-30-15-3-1-13-28(30)25-29-14-2-4-16-31(29)27-33-18-6-8-20-35(33)41(44)37-22-10-12-24-39(37)42(45)38-23-11-9-21-36(38)40/h1-24H,25-27H2 |
| InChIKey | IQGYDAJTQZSYQW-UHFFFAOYSA-N |
| Mol Weight | 582.7 g/mol |
| Molecular Formula | C42H30O3 |
| Exact Mass | 582.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F2WRCpTbKmC |
|---|---|
| Name | 2,9,16-Trioxoheptacyclo[36.4.0.0(3,8).0(10,15).0)17,22).0(24,29).0(31,36)]dotetraconta-1(38),3(8),4,6,10(15),11,13,17(22),18,20,24(29),25,27,31(36),32,34,39,41-octadecaene |
| Alternate Name(s) | 25,30-dihydrohexabenzo[a,d,g,j,m,p]cyclooctadecene-5,10,15(20H)-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H30O3 |
| InChI | InChI=1S/C42H30O3/c43-40-34-19-7-5-17-32(34)26-30-15-3-1-13-28(30)25-29-14-2-4-16-31(29)27-33-18-6-8-20-35(33)41(44)37-22-10-12-24-39(37)42(45)38-23-11-9-21-36(38)40/h1-24H,25-27H2 |
| InChIKey | IQGYDAJTQZSYQW-UHFFFAOYSA-N |
| Molecular Weight | 582.699 g/mol |
| SMILES | C1(c2c(C(c3c(Cc4c(cccc4)Cc4c(Cc5c(C(c6c1cccc6)=O)cccc5)cccc4)cccc3)=O)cccc2)=O |
| SPLASH | splash10-001i-0010090000-097df874a45313152dab |
| Source of Spectrum | J-58-7156-28 |
| Wiley ID | 1408728 |