![(2S,3S,4R)-2-[(2'R)-Benzoyloxydocosanoylamino]-1,3,4-tribenzyloxy-16-methylheptadecane](/api/spectrum/3cSuIUsbCaT/structure.png?h=300&w=458 "(2S,3S,4R)-2-[(2'R)-Benzoyloxydocosanoylamino]-1,3,4-tribenzyloxy-16-methylheptadecane")
| SpectraBase Compound ID | 1Ha3gYtDQBA |
|---|---|
| InChI | InChI=1S/C68H103NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-42-53-65(75-68(71)62-50-39-31-40-51-62)67(70)69-63(57-72-54-59-44-33-28-34-45-59)66(74-56-61-48-37-30-38-49-61)64(73-55-60-46-35-29-36-47-60)52-41-26-23-21-18-19-22-25-32-43-58(2)3/h28-31,33-40,44-51,58,63-66H,4-27,32,41-43,52-57H2,1-3H3,(H,69,70)/t63-,64+,65+,66-/m0/s1 |
| InChIKey | FFRBEBLGUAQDLX-IWIZUXLOSA-N |
| Mol Weight | 1030.6 g/mol |
| Molecular Formula | C68H103NO6 |
| Exact Mass | 1029.77854 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cSuIUsbCaT |
|---|---|
| Name | (2S,3S,4R)-2-[(2'R)-Benzoyloxydocosanoylamino]-1,3,4-tribenzyloxy-16-methylheptadecane |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C68H103NO6 |
| InChI | InChI=1S/C68H103NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-42-53-65(75-68(71)62-50-39-31-40-51-62)67(70)69-63(57-72-54-59-44-33-28-34-45-59)66(74-56-61-48-37-30-38-49-61)64(73-55-60-46-35-29-36-47-60)52-41-26-23-21-18-19-22-25-32-43-58(2)3/h28-31,33-40,44-51,58,63-66H,4-27,32,41-43,52-57H2,1-3H3,(H,69,70)/t63-,64+,65+,66-/m0/s1 |
| InChIKey | FFRBEBLGUAQDLX-IWIZUXLOSA-N |
| Molecular Weight | 1030.573 g/mol |
| SMILES | N(C([C@](OC(=O)c1ccccc1)(CCCCCCCCCCCCCCCCCCCC)[H])=O)[C@]([C@](OCc1ccccc1)([C@](OCc1ccccc1)(CCCCCCCCCCCC(C)C)[H])[H])(COCc1ccccc1)[H] |
| SPLASH | splash10-0006-9000102200-bae96bb34a01c861b3ee |
| Source of Spectrum | KC-0-2857-31 |
| Wiley ID | 782442 |