| SpectraBase Compound ID | FwqVYDZRVXb |
|---|---|
| InChI | InChI=1S/C47H41N5O9/c1-27(48-45(57)59-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40(53)49-37-22-12-10-20-34(37)41(54)50-38-24-47(61-43(38)56)36-21-11-13-23-39(36)52-42(55)28(2)51(44(47)52)46(58)60-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,57)(H,49,53)(H,50,54)/t27?,28-,38+,44-,47-/m0/s1 |
| InChIKey | MXTYAXARXGJDHW-BIENHCINSA-N |
| Mol Weight | 819.9 g/mol |
| Molecular Formula | C47H41N5O9 |
| Exact Mass | 819.290428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzN0n2bWuaW |
|---|---|
| Name | MXTYAXARXGJDHW-BIENHCINSA-N |
| Compound Number | 45B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H41N5O9 |
| InChI | InChI=1S/C47H41N5O9/c1-27(48-45(57)59-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40(53)49-37-22-12-10-20-34(37)41(54)50-38-24-47(61-43(38)56)36-21-11-13-23-39(36)52-42(55)28(2)51(44(47)52)46(58)60-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,57)(H,49,53)(H,50,54)/t27?,28-,38+,44-,47-/m0/s1 |
| InChIKey | MXTYAXARXGJDHW-BIENHCINSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 819.871 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25413 |