SpectraBase Compound ID | F9CQh2Fd6CV |
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InChI | InChI=1S/C68H68O11P4S/c1-9-25-49-53-37-55-50(26-10-2)57-39-59-52(28-12-4)60-40-58-51(27-11-3)56-38-54(49)62-42(6)64(56)75-82(71,47-33-21-15-22-34-47)77-66(58)44(8)68(60)79-83(84,48-35-23-16-24-36-48)78-67(59)43(7)65(57)76-81(70,46-31-19-14-20-32-46)74-63(55)41(5)61(53)72-80(69,73-62)45-29-17-13-18-30-45/h13-24,29-40,49-52H,9-12,25-28H2,1-8H3/t49-,50-,51-,52-,80?,81?,82?,83?/m1/s1 |
InChIKey | GPUMZGJOKWIJOV-LAIOWSAWSA-N |
Mol Weight | 1217.2 g/mol |
Molecular Formula | C68H68O11P4S |
Exact Mass | 1216.343282 g/mol |
SpectraBase Spectrum ID | AXiIFDDjEdJ |
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Name | 3POIII1PSI[C3H7,CH3,PH] |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C68H68O11P4S |
InChI | InChI=1S/C68H68O11P4S/c1-9-25-49-53-37-55-50(26-10-2)57-39-59-52(28-12-4)60-40-58-51(27-11-3)56-38-54(49)62-42(6)64(56)75-82(71,47-33-21-15-22-34-47)77-66(58)44(8)68(60)79-83(84,48-35-23-16-24-36-48)78-67(59)43(7)65(57)76-81(70,46-31-19-14-20-32-46)74-63(55)41(5)61(53)72-80(69,73-62)45-29-17-13-18-30-45/h13-24,29-40,49-52H,9-12,25-28H2,1-8H3/t49-,50-,51-,52-,80?,81?,82?,83?/m1/s1 |
InChIKey | GPUMZGJOKWIJOV-LAIOWSAWSA-N |
Literature Reference Author | D.MENOZZI,R.PINALLI,C.MASSERA,F.MAFFEI,E.DALCANALE |
Literature Reference Citation | MOLECULES,20,4460(2015) |
Literature Reference DOI | 10.3390/molecules20034460 |
Solvent | CDCl3 |
Source File Reference | UWPA3253 |