| SpectraBase Compound ID | IQE40bZQHDn |
|---|---|
| InChI | InChI=1S/C47H39N5O8/c1-27(48-45(55)57-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40-49-37-22-12-10-20-34(37)41(59-40)50-38-24-47(60-43(38)54)36-21-11-13-23-39(36)52-42(53)28(2)51(44(47)52)46(56)58-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,55)/b50-41-/t27?,28-,38+,44-,47-/m0/s1 |
| InChIKey | HOOMGOVJWFGGCG-VCJNFJIZSA-N |
| Mol Weight | 801.9 g/mol |
| Molecular Formula | C47H39N5O8 |
| Exact Mass | 801.279863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hg3DxF1yhU |
|---|---|
| Name | HOOMGOVJWFGGCG-VCJNFJIZSA-N |
| Compound Number | 46A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H39N5O8 |
| InChI | InChI=1S/C47H39N5O8/c1-27(48-45(55)57-26-35-32-18-8-6-16-30(32)31-17-7-9-19-33(31)35)40-49-37-22-12-10-20-34(37)41(59-40)50-38-24-47(60-43(38)54)36-21-11-13-23-39(36)52-42(53)28(2)51(44(47)52)46(56)58-25-29-14-4-3-5-15-29/h3-23,27-28,35,38,44H,24-26H2,1-2H3,(H,48,55)/b50-41-/t27?,28-,38+,44-,47-/m0/s1 |
| InChIKey | HOOMGOVJWFGGCG-VCJNFJIZSA-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 | 801.855 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25414 |