SpectraBase Compound ID | FSC4EMnzo8y |
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InChI | InChI=1S/C41H44O23/c42-12-24-29(50)32(53)34(55)39(61-24)59-18-10-21(46)27-23(11-18)60-36(16-3-5-17(43)6-4-16)37(31(27)52)63-41-38(28(49)22(47)13-58-41)64-40-35(56)33(54)30(51)25(62-40)14-57-26(48)8-2-15-1-7-19(44)20(45)9-15/h1-11,22,24-25,28-30,32-35,38-47,49-51,53-56H,12-14H2/b8-2+/t22-,24-,25+,28-,29-,30+,32+,33-,34-,35+,38+,39-,40-,41-/m0/s1 |
InChIKey | RRLHNNHGOHUCNW-AUQAVNQESA-N |
Mol Weight | 904.8 g/mol |
Molecular Formula | C41H44O23 |
Exact Mass | 904.227338 g/mol |
SpectraBase Spectrum ID | GrNgLZu0A5M |
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Name | KAEMPFEROL-3-O-BETA-D-[6'''-O-(E)-CAFFEOYL]-GLUCOPYRANOSYL-(1'''->2'')-O-ALPHA-L-ARABINOPYRANOSIDE-7-O-BETA-D-GLUCOPYRANOSIDE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C41H44O23 |
InChI | InChI=1S/C41H44O23/c42-12-24-29(50)32(53)34(55)39(61-24)59-18-10-21(46)27-23(11-18)60-36(16-3-5-17(43)6-4-16)37(31(27)52)63-41-38(28(49)22(47)13-58-41)64-40-35(56)33(54)30(51)25(62-40)14-57-26(48)8-2-15-1-7-19(44)20(45)9-15/h1-11,22,24-25,28-30,32-35,38-47,49-51,53-56H,12-14H2/b8-2+/t22-,24-,25+,28-,29-,30+,32+,33-,34-,35+,38+,39-,40-,41-/m0/s1 |
InChIKey | RRLHNNHGOHUCNW-AUQAVNQESA-N |
Literature Reference Author | F.GELLER,R.MURILLO,L.STEINHAUSER,B.HEINZMANN,K.ALBERT,I.MERF ORT,S.LAUFER |
Literature Reference Citation | MOLECULES,19,6727(2014) |
Literature Reference DOI | 10.3390/molecules19056727 |
Molecular Weight | 904.787 g/mol |
Solvent | C5D5N |
Source File Reference | UWIR14523 |