![2,9,16,23,30-Pentaoxoheptacyclo[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/2pfMGc8WwNb/structure.png?h=300&w=458 "2,9,16,23,30-Pentaoxoheptacyclo[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 | 7fWbtZoXnPd |
|---|---|
| InChI | InChI=1S/C42H26O5/c43-38-28-15-3-1-13-26(28)25-27-14-2-4-16-29(27)39(44)31-18-6-8-20-33(31)41(46)35-22-10-12-24-37(35)42(47)36-23-11-9-21-34(36)40(45)32-19-7-5-17-30(32)38/h1-24H,25H2 |
| InChIKey | UJJDEHQWBPGMLJ-UHFFFAOYSA-N |
| Mol Weight | 610.7 g/mol |
| Molecular Formula | C42H26O5 |
| Exact Mass | 610.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2pfMGc8WwNb |
|---|---|
| Name | 2,9,16,23,30-Pentaoxoheptacyclo[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) | Hexabenzo[a,d,g,j,m,p]cyclooctadecene-5,10,15,20,25(30H)-pentone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H26O5 |
| InChI | InChI=1S/C42H26O5/c43-38-28-15-3-1-13-26(28)25-27-14-2-4-16-29(27)39(44)31-18-6-8-20-33(31)41(46)35-22-10-12-24-37(35)42(47)36-23-11-9-21-34(36)40(45)32-19-7-5-17-30(32)38/h1-24H,25H2 |
| InChIKey | UJJDEHQWBPGMLJ-UHFFFAOYSA-N |
| Molecular Weight | 610.665 g/mol |
| SMILES | C1(c2c(C(c3c(Cc4c(cccc4)C(c4c(C(c5c(C(c6c1cccc6)=O)cccc5)=O)cccc4)=O)cccc3)=O)cccc2)=O |
| SPLASH | splash10-03di-0151097000-0815f2366be75637b243 |
| Source of Spectrum | J-58-7154-17 |
| Wiley ID | 1410954 |