![2,4,9,11,16,18,23,25,30,32,37,39-Dodecaoxapentacyclo[38.2.2.2(5,8).2(12,15).2(19,22).2(26,29).2(33,36)]tetrapentaconta-5,7,12,14,19,21,26,28,,33,35,40,42,43,45,47,49,51,53-octadecaene](/api/spectrum/6knf9s0eZ05/structure.png?h=300&w=458 "2,4,9,11,16,18,23,25,30,32,37,39-Dodecaoxapentacyclo[38.2.2.2(5,8).2(12,15).2(19,22).2(26,29).2(33,36)]tetrapentaconta-5,7,12,14,19,21,26,28,,33,35,40,42,43,45,47,49,51,53-octadecaene")
| SpectraBase Compound ID | K6V3PDQg3C6 |
|---|---|
| InChI | InChI=1S/C42H36O12/c1-2-32-4-3-31(1)43-25-45-33-5-7-35(8-6-33)47-27-49-37-13-15-39(16-14-37)51-29-53-41-21-23-42(24-22-41)54-30-52-40-19-17-38(18-20-40)50-28-48-36-11-9-34(10-12-36)46-26-44-32/h1-24H,25-30H2 |
| InChIKey | ICVPNTWXIHEAHT-UHFFFAOYSA-N |
| Mol Weight | 732.7 g/mol |
| Molecular Formula | C42H36O12 |
| Exact Mass | 732.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6knf9s0eZ05 |
|---|---|
| Name | 2,4,9,11,16,18,23,25,30,32,37,39-Dodecaoxapentacyclo[38.2.2.2(5,8).2(12,15).2(19,22).2(26,29).2(33,36)]tetrapentaconta-5,7,12,14,19,21,26,28,,33,35,40,42,43,45,47,49,51,53-octadecaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 732.220676587 u |
| Formula | C42H36O12 |
| InChI | InChI=1S/C42H36O12/c1-2-32-4-3-31(1)43-25-45-33-5-7-35(8-6-33)47-27-49-37-13-15-39(16-14-37)51-29-53-41-21-23-42(24-22-41)54-30-52-40-19-17-38(18-20-40)50-28-48-36-11-9-34(10-12-36)46-26-44-32/h1-24H,25-30H2 |
| InChIKey | ICVPNTWXIHEAHT-UHFFFAOYSA-N |
| Molecular Weight | 732.738 g/mol |
| SMILES | C1OC2=CC=C(OCOC3=CC=C(OCOC4=CC=C(OCOC=5C=CC(OCOC=6C=CC(OCOC=7C=CC(O1)=CC7)=CC6)=CC5)C=C4)C=C3)C=C2 |