![#7;HEXADECANOIC-ACID-[(2R,3R)-3-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXY]-2-HEXADECANOYLOXY-1-(4'-METHOXYBENZYLOXYMETHYL)]-PROPYLESTER](/api/spectrum/450pvaj6SX8/structure.png?h=300&w=458 "#7;HEXADECANOIC-ACID-[(2R,3R)-3-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXY]-2-HEXADECANOYLOXY-1-(4'-METHOXYBENZYLOXYMETHYL)]-PROPYLESTER")
| SpectraBase Compound ID | BRAhypXWULh |
|---|---|
| InChI | InChI=1S/C61H96NO12P/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-59(63)73-57(51-68-48-55-42-44-56(67-3)45-43-55)58(74-60(64)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)52-72-75(66,71-50-54-38-32-29-33-39-54)70-47-46-62-61(65)69-49-53-36-30-28-31-37-53/h28-33,36-39,42-45,57-58H,4-27,34-35,40-41,46-52H2,1-3H3,(H,62,65)/t57-,58-,75?/m1/s1 |
| InChIKey | SMSFABYPNJSOOM-WBKHYHSCSA-N |
| Mol Weight | 1066.4 g/mol |
| Molecular Formula | C61H96NO12P |
| Exact Mass | 1065.667015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 450pvaj6SX8 |
|---|---|
| Name | #7;HEXADECANOIC-ACID-[(2R,3R)-3-[BENZYLOXY-(2-BENZYLOXYCARBONYLAMINOETHOXY)-PHOSPHORYLOXY]-2-HEXADECANOYLOXY-1-(4'-METHOXYBENZYLOXYMETHYL)]-PROPYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96NO12P |
| InChI | InChI=1S/C61H96NO12P/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-59(63)73-57(51-68-48-55-42-44-56(67-3)45-43-55)58(74-60(64)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)52-72-75(66,71-50-54-38-32-29-33-39-54)70-47-46-62-61(65)69-49-53-36-30-28-31-37-53/h28-33,36-39,42-45,57-58H,4-27,34-35,40-41,46-52H2,1-3H3,(H,62,65)/t57-,58-,75?/m1/s1 |
| InChIKey | SMSFABYPNJSOOM-WBKHYHSCSA-N |
| Literature Reference Author | P.W.RZEPECKI,G.D.PRESTWICH |
| Literature Reference Citation | J.ORG.CHEM.,67,5454(2002) |
| Literature Reference DOI | 10.1021/jo011185a |
| Molecular Weight | 1066.406 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI21895 |