![Hexamethyl 33-oxa-1,12-diazapentacyclo[10.10.10.1(5,8).2(13,16),2(26,29)]heptatriaconta-3,5,7,9,14,16,18,20,24,26,28,30,34(35),36(37)-tetradecaene-3,10,14,21,24,32-hexacarboxylate](/api/spectrum/1PlXGdOrvjI/structure.png?h=300&w=458 "Hexamethyl 33-oxa-1,12-diazapentacyclo[10.10.10.1(5,8).2(13,16),2(26,29)]heptatriaconta-3,5,7,9,14,16,18,20,24,26,28,30,34(35),36(37)-tetradecaene-3,10,14,21,24,32-hexacarboxylate")
| SpectraBase Compound ID | AHn5uXTqlHZ |
|---|---|
| InChI | InChI=1S/C46H46N2O13/c1-55-41(49)32-10-8-7-9-30-16-19-39(38(22-30)45(53)59-5)48-28-35(44(52)58-4)24-37-18-17-36(61-37)23-34(43(51)57-3)27-47(25-32)26-33(42(50)56-2)21-31-13-11-29(12-14-31)15-20-40(48)46(54)60-6/h7-24,39-40H,25-28H2,1-6H3/b8-7+,20-15-,30-9+,32-10+,33-21+,34-23+,35-24+ |
| InChIKey | JEVMKXSDSGBVHW-WJICVDLKSA-N |
| Mol Weight | 834.9 g/mol |
| Molecular Formula | C46H46N2O13 |
| Exact Mass | 834.29999 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1PlXGdOrvjI |
|---|---|
| Name | Hexamethyl 33-oxa-1,12-diazapentacyclo[10.10.10.1(5,8).2(13,16),2(26,29)]heptatriaconta-3,5,7,9,14,16,18,20,24,26,28,30,34(35),36(37)-tetradecaene-3,10,14,21,24,32-hexacarboxylate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H46N2O13 |
| InChI | InChI=1S/C46H46N2O13/c1-55-41(49)32-10-8-7-9-30-16-19-39(38(22-30)45(53)59-5)48-28-35(44(52)58-4)24-37-18-17-36(61-37)23-34(43(51)57-3)27-47(25-32)26-33(42(50)56-2)21-31-13-11-29(12-14-31)15-20-40(48)46(54)60-6/h7-24,39-40H,25-28H2,1-6H3/b8-7+,20-15-,30-9+,32-10+,33-21+,34-23+,35-24+ |
| InChIKey | JEVMKXSDSGBVHW-WJICVDLKSA-N |
| Molecular Weight | 834.875 g/mol |
| SMILES | C12N3C\C(=C/c4oc(\C=C/(CN(C\C(=C/C=C/C=C/(C=C2C(=O)OC)C=C1)C(=O)OC)C\C(=C/c1ccc(\C=C/C3C(=O)OC)cc1)C(=O)OC)C(=O)OC)cc4)C(=O)OC |
| SPLASH | splash10-02e9-3950010070-4680c7c5416a42707187 |
| Source of Spectrum | F-50-7824-6 |
| Wiley ID | 1417576 |