| SpectraBase Compound ID | J3ciC8ZHYA |
|---|---|
| InChI | InChI=1S/C45H36N7O6PS/c1-32-23-25-38(26-24-32)60(56,57)49-28-27-43(40(53)58-2)39(49)44(31-47)33(30-46)29-45(43,52-42(55)50(41(54)51(44)52)34-15-7-3-8-16-34)48-59(35-17-9-4-10-18-35,36-19-11-5-12-20-36)37-21-13-6-14-22-37/h3-26,29,39H,27-28H2,1-2H3/t39-,43-,44-,45+/m0/s1 |
| InChIKey | DRGGUPAVANPVDN-HKDZVOILSA-N |
| Mol Weight | 833.9 g/mol |
| Molecular Formula | C45H36N7O6PS |
| Exact Mass | 833.21854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DBdrFF51ub |
|---|---|
| Name | DRGGUPAVANPVDN-HKDZVOILSA-N |
| CAS Registry Number | 115483-83-5 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H36N7O6PS |
| InChI | InChI=1S/C45H36N7O6PS/c1-32-23-25-38(26-24-32)60(56,57)49-28-27-43(40(53)58-2)39(49)44(31-47)33(30-46)29-45(43,52-42(55)50(41(54)51(44)52)34-15-7-3-8-16-34)48-59(35-17-9-4-10-18-35,36-19-11-5-12-20-36)37-21-13-6-14-22-37/h3-26,29,39H,27-28H2,1-2H3/t39-,43-,44-,45+/m0/s1 |
| InChIKey | DRGGUPAVANPVDN-HKDZVOILSA-N |
| Literature Reference Author | H.WAMHOFF,F.J.FASSBENDER,M.NIEGER |
| Literature Reference Citation | CHEM.BER.,121,2157(1988) |
| Literature Reference DOI | 10.1002/cber.19881211214 |
| Molecular Weight | 833.858 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1703 |