![3,5-BIS-DODECYLOXYBENZOICESTER-PE-[G2]-(OH)(8)](/api/spectrum/6HmSlKIbupC/structure.png?h=300&w=458 "3,5-BIS-DODECYLOXYBENZOICESTER-PE-[G2]-(OH)(8)")
| SpectraBase Compound ID | BHGlC99KkVH |
|---|---|
| InChI | InChI=1S/C97H164O28/c1-11-15-19-23-27-31-35-39-43-47-51-114-79-55-77(56-80(59-79)115-52-48-44-40-36-32-28-24-20-16-12-2)83(106)118-73-97(75-124-89(112)95(9,69-120-85(108)91(5,61-98)62-99)70-121-86(109)92(6,63-100)64-101,76-125-90(113)96(10,71-122-87(110)93(7,65-102)66-103)72-123-88(111)94(8,67-104)68-105)74-119-84(107)78-57-81(116-53-49-45-41-37-33-29-25-21-17-13-3)60-82(58-78)117-54-50-46-42-38-34-30-26-22-18-14-4/h55-60,98-105H,11-54,61-76H2,1-10H3 |
| InChIKey | XBUUHJNNKFXAAH-UHFFFAOYSA-N |
| Mol Weight | 1778.4 g/mol |
| Molecular Formula | C97H164O28 |
| Exact Mass | 1777.140915 g/mol |
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| SpectraBase Spectrum ID | 6HmSlKIbupC |
|---|---|
| Name | 3,5-BIS-DODECYLOXYBENZOICESTER-PE-[G2]-(OH)(8) |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C97H164O28 |
| InChI | InChI=1S/C97H164O28/c1-11-15-19-23-27-31-35-39-43-47-51-114-79-55-77(56-80(59-79)115-52-48-44-40-36-32-28-24-20-16-12-2)83(106)118-73-97(75-124-89(112)95(9,69-120-85(108)91(5,61-98)62-99)70-121-86(109)92(6,63-100)64-101,76-125-90(113)96(10,71-122-87(110)93(7,65-102)66-103)72-123-88(111)94(8,67-104)68-105)74-119-84(107)78-57-81(116-53-49-45-41-37-33-29-25-21-17-13-3)60-82(58-78)117-54-50-46-42-38-34-30-26-22-18-14-4/h55-60,98-105H,11-54,61-76H2,1-10H3 |
| InChIKey | XBUUHJNNKFXAAH-UHFFFAOYSA-N |
| Literature Reference Author | J.ROPPONEN,S.NUMMELIN,K.RISSANEN |
| Literature Reference Citation | ORG.LETTERS,6,2495(2004) |
| Literature Reference DOI | 10.1021/ol049555f |
| Molecular Weight | 1778.352 g/mol |
| Sample ID | 38920 |
| Solvent | CDCl3 |