| SpectraBase Compound ID | 2i6q7XwN7OT |
|---|---|
| InChI | InChI=1S/C68H148O13Si8/c1-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57(75-83(6,7)8)56(52-50-48-46-44-42-40-38-36-34-32-30-28-2)66(69)70-54-58-60(76-84(9,10)11)62(78-86(15,16)17)64(80-88(21,22)23)67(72-58)74-68-65(81-89(24,25)26)63(79-87(18,19)20)61(77-85(12,13)14)59(73-68)55-71-82(3,4)5/h56-65,67-68H,27-55H2,1-26H3/t56-,57-,58?,59?,60?,61?,62?,63?,64?,65?,67?,68?/m1/s1 |
| InChIKey | ZCHKLLKVNIDLEP-YWCIOYJVSA-N |
| Mol Weight | 1398.6 g/mol |
| Molecular Formula | C68H148O13Si8 |
| Exact Mass | 1396.907407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 25fBXctGkoD |
|---|---|
| Name | Corynomycolic acid ester of .alpha.-trehalose |
| Alternate Name(s) | {3,4,5-tris[(trimethylsilyl)oxy]-6-({3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl}oxy)oxan-2-yl}methyl (2R,3R)-2-tetradecyl-3-[(trimethylsilyl)oxy]octadecanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C68H148O13Si8 |
| InChI | InChI=1S/C68H148O13Si8/c1-27-29-31-33-35-37-39-41-43-45-47-49-51-53-57(75-83(6,7)8)56(52-50-48-46-44-42-40-38-36-34-32-30-28-2)66(69)70-54-58-60(76-84(9,10)11)62(78-86(15,16)17)64(80-88(21,22)23)67(72-58)74-68-65(81-89(24,25)26)63(79-87(18,19)20)61(77-85(12,13)14)59(73-68)55-71-82(3,4)5/h56-65,67-68H,27-55H2,1-26H3/t56-,57-,58?,59?,60?,61?,62?,63?,64?,65?,67?,68?/m1/s1 |
| InChIKey | ZCHKLLKVNIDLEP-YWCIOYJVSA-N |
| Molecular Weight | 1398.599 g/mol |
| SMILES | C1(C(C(OC2C(C(O[Si](C)(C)C)C(C(O2)COC([C@@]([C@](O[Si](C)(C)C)(CCCCCCCCCCCCCCC)[H])(CCCCCCCCCCCCCC)[H])=O)O[Si](C)(C)C)O[Si](C)(C)C)OC(C1O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH | splash10-0ir0-6097020021-40f52d3e8703090f2023 |
| Source of Spectrum | KO-5-149-5 |
| Wiley ID | 1418812 |