SpectraBase Compound ID | 2LhsCscpdmD |
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InChI | InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4-/t16-,17+,19-,20+,21+,22-,23+,25+,26-/m1/s1 |
InChIKey | ABYPZHZWILXERF-GIZLBXAASA-N |
Mol Weight | 550.51 g/mol |
Molecular Formula | C26H30O13 |
Exact Mass | 550.168641 g/mol |
SpectraBase Spectrum ID | Cqw6gaNMJcD |
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Name | (Z)-6-O-PARA-COUMAROYL-SCANDOSIDE-METHYLESTER |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C26H30O13 |
InChI | InChI=1S/C26H30O13/c1-35-24(34)15-11-36-25(39-26-23(33)22(32)21(31)17(10-28)38-26)19-13(9-27)8-16(20(15)19)37-18(30)7-4-12-2-5-14(29)6-3-12/h2-8,11,16-17,19-23,25-29,31-33H,9-10H2,1H3/b7-4-/t16-,17+,19-,20+,21+,22-,23+,25+,26-/m1/s1 |
InChIKey | ABYPZHZWILXERF-GIZLBXAASA-N |
Literature Reference Author | V.M.DEMAURA,D.P.D.SANTOS,S.M.D.O.SANTIN,J.E.DECARVALHO,M.A.F OGLIO |
Literature Reference Citation | QUIM.NOVA,29,452(2006) |
Literature Reference DOI | 10.1590/s0100-40422006000300009 |
Molecular Weight | 550.516 g/mol |
Solvent | CD3OD |
Source File Reference | UWBT12169 |