SpectraBase Compound ID | 9HSeFQnFifK |
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InChI | InChI=1S/C42H51N4O10P/c1-8-52-40(48)35-26-45(41(49)44-39(35)47)38-25-36(56-57(54-24-12-23-43)46(28(2)3)29(4)5)37(55-38)27-53-42(30-13-10-9-11-14-30,31-15-19-33(50-6)20-16-31)32-17-21-34(51-7)22-18-32/h9-11,13-22,26,28-29,36-38H,8,12,24-25,27H2,1-7H3,(H,44,47,49)/t36-,37+,38+,57?/m0/s1 |
InChIKey | BSKNGLJHLXBUIV-CLOUSOCSSA-N |
Mol Weight | 802.9 g/mol |
Molecular Formula | C42H51N4O10P |
Exact Mass | 802.334281 g/mol |
SpectraBase Spectrum ID | IY3mbIM4aHa |
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Name | ISOMER-#2 |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H51N4O10P |
InChI | InChI=1S/C42H51N4O10P/c1-8-52-40(48)35-26-45(41(49)44-39(35)47)38-25-36(56-57(54-24-12-23-43)46(28(2)3)29(4)5)37(55-38)27-53-42(30-13-10-9-11-14-30,31-15-19-33(50-6)20-16-31)32-17-21-34(51-7)22-18-32/h9-11,13-22,26,28-29,36-38H,8,12,24-25,27H2,1-7H3,(H,44,47,49)/t36-,37+,38+,57?/m0/s1 |
InChIKey | BSKNGLJHLXBUIV-CLOUSOCSSA-N |
Literature Reference Author | T.BERTHOD,Y.PETILLOT,A.GUY,J.CADET,D.MOLKO |
Literature Reference Citation | J.ORG.CHEM.,61,6075(1996) |
Literature Reference DOI | 10.1021/jo960614f |
Solvent | CD2Cl2 |
Source File Reference | UWCS24097 |