| SpectraBase Compound ID | AodxqF46BWE |
|---|---|
| InChI | InChI=1S/C41H32O28/c42-13-1-8(2-14(43)24(13)50)34(55)69-41-33-32-29(64-37(58)11(5-18(46)47)21-23-10(36(57)68-33)4-16(45)26(52)31(23)66-40(61)28(21)54)17(63-41)7-62-35(56)9-3-15(44)25(51)30-22(9)20(27(53)39(60)65-30)12(6-19(48)49)38(59)67-32/h1-4,11-12,17,20-21,27-29,32-33,41-45,50-54H,5-7H2,(H,46,47)(H,48,49)/t11-,12?,17+,20-,21-,27-,28-,29+,32-,33+,41?/m0/s1 |
| InChIKey | RQCWVRZKLJDIFK-NLIYBEOOSA-N |
| Mol Weight | 972.7 g/mol |
| Molecular Formula | C41H32O28 |
| Exact Mass | 972.10801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FSdGzD7OVTL |
|---|---|
| Name | EUMACULIN_E;1-0-GALLOYL-2,4;3,6-DICHEBULOYL-BETA-D-GLUCOPYRANOSE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H32O28 |
| InChI | InChI=1S/C41H32O28/c42-13-1-8(2-14(43)24(13)50)34(55)69-41-33-32-29(64-37(58)11(5-18(46)47)21-23-10(36(57)68-33)4-16(45)26(52)31(23)66-40(61)28(21)54)17(63-41)7-62-35(56)9-3-15(44)25(51)30-22(9)20(27(53)39(60)65-30)12(6-19(48)49)38(59)67-32/h1-4,11-12,17,20-21,27-29,32-33,41-45,50-54H,5-7H2,(H,46,47)(H,48,49)/t11-,12?,17+,20-,21-,27-,28-,29+,32-,33+,41?/m0/s1 |
| InChIKey | RQCWVRZKLJDIFK-NLIYBEOOSA-N |
| Literature Reference Author | Y.AMAKURA,K.KAWADA,T.HATANO,I.AGATA,T.SUGAYA,S.NISHIBE,T.OKU DA,T.YOSHIDA |
| Literature Reference Citation | CAN.J.CHEM.,75,727(1997) |
| Literature Reference DOI | 10.1139/v97-088 |
| Molecular Weight | 972.688 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWMZ850 |