SpectraBase Compound ID | 6yvnCYwv9ou |
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InChI | InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+/t25-,26-,27-,28+,31-,32-,33-,35+,36+,37+,38+,39-,40+,42+,44-,45-,46+,47+,48+,49+/m1/s1 |
InChIKey | KFEVJAZSURUKLX-FLUJSUDHSA-N |
Mol Weight | 1111.0 g/mol |
Molecular Formula | C49H58O29 |
Exact Mass | 1110.306376 g/mol |
SpectraBase Spectrum ID | AmGkWu5cBco |
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Name | KAEMPFEROL-3-O-BETA-D-[2E-FERULOYL-BETA-D-GLUCOPYRANOSYL-(1->2)-GLUCOPYRANOSIDE]-7-O-BETA-D-[BETA-D-GLUCOPYRANOSYL-(1->4)-GLUCOPYRANOSIDE] |
Compound Number | 7 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C49H58O29 |
InChI | InChI=1S/C49H58O29/c1-68-23-10-17(2-8-21(23)55)3-9-29(57)75-44-36(63)32(59)26(14-51)72-48(44)78-45-37(64)33(60)27(15-52)73-49(45)77-43-34(61)30-22(56)11-20(12-24(30)70-41(43)18-4-6-19(54)7-5-18)69-46-40(67)38(65)42(28(16-53)74-46)76-47-39(66)35(62)31(58)25(13-50)71-47/h2-12,25-28,31-33,35-40,42,44-56,58-60,62-67H,13-16H2,1H3/b9-3+/t25-,26-,27-,28+,31-,32-,33-,35+,36+,37+,38+,39-,40+,42+,44-,45-,46+,47+,48+,49+/m1/s1 |
InChIKey | KFEVJAZSURUKLX-FLUJSUDHSA-N |
Literature Reference Author | J.K.NIELSEN,R.NORBAEK,C.E.OLSEN |
Literature Reference Citation | PHYTOCHEM.,49,2171(1998) |
Literature Reference DOI | 10.1016/S0031-9422(98)00422-1 |
Molecular Weight | 1110.982 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWLU961 |