| SpectraBase Compound ID | 1uXXhBqoGOR |
|---|---|
| InChI | InChI=1S/C50H89NO15S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-46(56)51-43(44(62-40(4)53)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)37-61-50-49(64-42(6)55)48(66-67(57,58)59)47(63-41(5)54)45(65-50)38-60-39(3)52/h33,35,43-45,47-50H,7-32,34,36-38H2,1-6H3,(H,51,56)(H,57,58,59)/b35-33+/t43-,44+,45+,47-,48-,49+,50+/m0/s1 |
| InChIKey | YLAHPWXFUSQAHX-NRDQVLNHSA-N |
| Mol Weight | 976.3 g/mol |
| Molecular Formula | C50H89NO15S |
| Exact Mass | 975.595292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5saSbhqoMpO |
|---|---|
| Name | PERACETYLATED-SULFATIDE;PERACETYLATED-CEREBROSIDE-3-SULFATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H89NO15S |
| InChI | InChI=1S/C50H89NO15S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-46(56)51-43(44(62-40(4)53)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)37-61-50-49(64-42(6)55)48(66-67(57,58)59)47(63-41(5)54)45(65-50)38-60-39(3)52/h33,35,43-45,47-50H,7-32,34,36-38H2,1-6H3,(H,51,56)(H,57,58,59)/b35-33+/t43-,44+,45+,47-,48-,49+,50+/m0/s1 |
| InChIKey | YLAHPWXFUSQAHX-NRDQVLNHSA-N |
| Literature Reference Author | D.P.IGA,S.IGA |
| Literature Reference Citation | OPEN.ORG.CHEM.J.,2,46(2008) |
| Literature Reference DOI | 10.2174/1874095200801020046 |
| Molecular Weight | 976.314 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU81059 |