| SpectraBase Compound ID | LX3l9ty4EZw |
|---|---|
| InChI | InChI=1S/C42H47BrN2O13/c1-7-28-31(18-34-36-30(29-10-8-9-11-33(29)44-36)16-17-45(34)19-26-12-14-27(43)15-13-26)32(40(50)51-6)20-53-41(28)58-42-39(56-25(5)49)38(55-24(4)48)37(54-23(3)47)35(57-42)21-52-22(2)46/h7-15,20,28,31,34-35,37-39,41-42,44H,1,16-19,21H2,2-6H3/t28-,31+,34?,35-,37-,38+,39-,41+,42+/m1/s1 |
| InChIKey | PFXZHVASSZACHG-KKJBNVNFSA-N |
| Mol Weight | 867.7 g/mol |
| Molecular Formula | C42H47BrN2O13 |
| Exact Mass | 866.226153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qqaqpZ3ja7 |
|---|---|
| Name | O',O',O',O'-TETRA-ACETYL-4-(4''-BrOMOBENZYL)-VINCOSIDE |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H47BrN2O13 |
| InChI | InChI=1S/C42H47BrN2O13/c1-7-28-31(18-34-36-30(29-10-8-9-11-33(29)44-36)16-17-45(34)19-26-12-14-27(43)15-13-26)32(40(50)51-6)20-53-41(28)58-42-39(56-25(5)49)38(55-24(4)48)37(54-23(3)47)35(57-42)21-52-22(2)46/h7-15,20,28,31,34-35,37-39,41-42,44H,1,16-19,21H2,2-6H3/t28-,31+,34?,35-,37-,38+,39-,41+,42+/m1/s1 |
| InChIKey | PFXZHVASSZACHG-KKJBNVNFSA-N |
| Literature Reference Author | A.PATTHY-LUKATS,A.KOCSIS,L.F.SZABO,B.PODANYI |
| Literature Reference Citation | J.NAT.PROD.,62,1492(1999) |
| Literature Reference DOI | 10.1021/np990150r |
| Molecular Weight | 867.745 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU559 |