![2,23-Dioxoheptacyclo[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/1GbgM9h1DiF/structure.png?h=300&w=458 "2,23-Dioxoheptacyclo[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 | KcbBppn98MO |
|---|---|
| InChI | InChI=1S/C42H32O2/c43-41-37-21-9-5-17-33(37)25-29-13-1-2-14-30(29)26-34-18-6-10-22-38(34)42(44)40-24-12-8-20-36(40)28-32-16-4-3-15-31(32)27-35-19-7-11-23-39(35)41/h1-24H,25-28H2 |
| InChIKey | SBBLYEPDLHLQQI-UHFFFAOYSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C42H32O2 |
| Exact Mass | 568.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GbgM9h1DiF |
|---|---|
| Name | 2,23-Dioxoheptacyclo[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 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 568.240230268 u |
| Formula | C42H32O2 |
| InChI | InChI=1S/C42H32O2/c43-41-37-21-9-5-17-33(37)25-29-13-1-2-14-30(29)26-34-18-6-10-22-38(34)42(44)40-24-12-8-20-36(40)28-32-16-4-3-15-31(32)27-35-19-7-11-23-39(35)41/h1-24H,25-28H2 |
| InChIKey | SBBLYEPDLHLQQI-UHFFFAOYSA-N |
| Molecular Weight | 568.716 g/mol |
| SMILES | C1(C2=C(CC3=C(CC4=C(C=CC=C4)C(C4=C(CC5=C(CC6=C1C=CC=C6)C=CC=C5)C=CC=C4)=O)C=CC=C3)C=CC=C2)=O |