SpectraBase Compound ID | dseW6Odv96 |
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InChI | InChI=1S/C57H92O21/c1-27-49(61)39(64-10)23-45(68-27)76-51-30(4)71-47(25-41(51)66-12)78-53-31(5)72-48(26-42(53)67-13)77-52-29(3)70-46(24-40(52)65-11)75-50-28(2)69-44(22-38(50)60)74-35-16-17-54(8)34(20-35)14-15-36-37(54)21-43(73-33(7)59)55(9)56(62,32(6)58)18-19-57(36,55)63/h14,27-31,35-53,60-63H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37?,38-,39?,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55+,56+,57-/m0/s1 |
InChIKey | HEHNKWWWZHNMTB-LYDRIHLISA-N |
Mol Weight | 1113.3 g/mol |
Molecular Formula | C57H92O21 |
Exact Mass | 1112.61311 g/mol |
SpectraBase Spectrum ID | JnpTzkkYCFo |
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Name | 12-O-ACETYLPERGULARIN-3-O-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4)-ALPHA-CYMAROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSYL-(1->4) |
Compound Number | 11 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H92O21 |
InChI | InChI=1S/C57H92O21/c1-27-49(61)39(64-10)23-45(68-27)76-51-30(4)71-47(25-41(51)66-12)78-53-31(5)72-48(26-42(53)67-13)77-52-29(3)70-46(24-40(52)65-11)75-50-28(2)69-44(22-38(50)60)74-35-16-17-54(8)34(20-35)14-15-36-37(54)21-43(73-33(7)59)55(9)56(62,32(6)58)18-19-57(36,55)63/h14,27-31,35-53,60-63H,15-26H2,1-13H3/t27-,28-,29-,30-,31-,35-,36+,37?,38-,39?,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55+,56+,57-/m0/s1 |
InChIKey | HEHNKWWWZHNMTB-LYDRIHLISA-N |
Literature Reference Author | T.WARASHINA,T.NORO |
Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
Molecular Weight | 1113.345 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU882 |