| SpectraBase Compound ID | D3JfogqieQj |
|---|---|
| InChI | InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75?,76?,77?,78?,79-,80+,87+,88-,89+,90-,91+,92-,93-,94+/m0/s1 |
| InChIKey | GZQKNULLWNGMCW-REFJLVSOSA-N |
| Mol Weight | 1798.4 g/mol |
| Molecular Formula | C94H178N2O25P2 |
| Exact Mass | 1797.219393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B5lAIJ24bFe |
|---|---|
| Name | LIPID-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H174N2O25P2 |
| InChI | InChI=1S/C94H178N2O25P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-84(103)115-78(66-60-54-48-42-35-29-23-17-11-5)72-86(105)119-92-88(96-82(101)71-77(65-59-53-47-41-34-28-22-16-10-4)114-83(102)67-61-55-49-43-36-30-24-18-12-6)93(116-79(73-97)90(92)120-122(107,108)109)113-74-80-89(106)91(118-85(104)70-76(99)64-58-52-46-40-33-27-21-15-9-3)87(94(117-80)121-123(110,111)112)95-81(100)69-75(98)63-57-51-45-39-32-26-20-14-8-2/h75-80,87-94,97-99,106H,7-74H2,1-6H3,(H,95,100)(H,96,101)(H2,107,108,109)(H2,110,111,112)/t75?,76?,77?,78?,79-,80+,87+,88-,89+,90-,91+,92-,93-,94+/m0/s1 |
| InChIKey | GZQKNULLWNGMCW-REFJLVSOSA-N |
| Literature Reference Author | A.A.RIBEIRO,Z.ZHOU,C.R.H.RAETZ |
| Literature Reference Citation | MAGN.RES.CHEM.,37,620(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199909)37:9<620::aid-mrc517>3.0.co;2-q |
| Molecular Weight | 1794.361 g/mol |
| Solvent | CDCl3:CD3OD:D2O=2:3:1 |
| Source File Reference | UWCS24203 |