| SpectraBase Compound ID | EHorsnB59lY |
|---|---|
| InChI | InChI=1S/3C22H18O13/c1-5-17(32-6(2)23)15(27)16(28)22(31-5)33-10-4-8-12-11-7(20(29)35-19(12)14(10)26)3-9(24)13(25)18(11)34-21(8)30;1-5-13(25)19(32-6(2)23)16(28)22(31-5)33-10-4-8-12-11-7(20(29)35-18(12)15(10)27)3-9(24)14(26)17(11)34-21(8)30;1-5-13(25)16(28)19(32-6(2)23)22(31-5)33-10-4-8-12-11-7(20(29)35-18(12)15(10)27)3-9(24)14(26)17(11)34-21(8)30/h3-5,15-17,22,24-28H,1-2H3;2*3-5,13,16,19,22,24-28H,1-2H3/t5-,15-,16+,17-,22-;2*5-,13-,16+,19+,22-/m111/s1 |
| InChIKey | OUQYHCIPOXOHPH-YQYJYZKTSA-N |
| Mol Weight | 1471.12 g/mol |
| Molecular Formula | C66H54O39 |
| Exact Mass | 1470.224222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46JXaHwk43d |
|---|---|
| Name | ELLAGIC-ACID-4-O-ALPHA-L-(2''/3''/4''-O-ACETYL)-RHAMNOPYRANOSIDE;COMPOUN-#1;MIXTURE |
| Compound Number | 2;7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H54O39 |
| InChI | InChI=1S/3C22H18O13/c1-5-17(32-6(2)23)15(27)16(28)22(31-5)33-10-4-8-12-11-7(20(29)35-19(12)14(10)26)3-9(24)13(25)18(11)34-21(8)30;1-5-13(25)19(32-6(2)23)16(28)22(31-5)33-10-4-8-12-11-7(20(29)35-18(12)15(10)27)3-9(24)14(26)17(11)34-21(8)30;1-5-13(25)16(28)19(32-6(2)23)22(31-5)33-10-4-8-12-11-7(20(29)35-18(12)15(10)27)3-9(24)14(26)17(11)34-21(8)30/h3-5,15-17,22,24-28H,1-2H3;2*3-5,13,16,19,22,24-28H,1-2H3/t5-,15-,16+,17-,22-;2*5-,13-,16+,19+,22-/m111/s1 |
| InChIKey | OUQYHCIPOXOHPH-YQYJYZKTSA-N |
| Literature Reference Author | M.B.C.GALLO,F.C.D.SILVA,P.C.VIEIRA,J.B.FERNANDES,M.F.D.G.F.D .SILVA |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,17,279(2006) |
| Literature Reference DOI | 10.1590/s0103-50532006000200010 |
| Molecular Weight | 1471.131 g/mol |
| Source File Reference | UWIR4920 |