| SpectraBase Compound ID | LGgKlNmbwbh |
|---|---|
| InChI | InChI=1S/C51H52O27/c52-17-34-39(61)42(64)45(67)51(76-34)75-33-16-24-30(14-23(53)15-31(24)73-49-46(68)43(65)40(62)35(77-49)18-70-37(59)9-3-20-1-6-25(54)28(57)11-20)72-48(33)22-5-8-27(56)32(13-22)74-50-47(69)44(66)41(63)36(78-50)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h1-16,34-36,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35-,36+,39-,40-,41+,42+,43+,44-,45-,46-,47+,49-,50+,51-/m0/s1 |
| InChIKey | FRDGOYDIONPUGI-ULKBKZKDSA-O |
| Mol Weight | 1098.0 g/mol |
| Molecular Formula | C51H53O27 |
| Exact Mass | 1097.277421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34H419YwWiy |
|---|---|
| Name | GENTIOCYANIN-B;CYANIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5,3'-BIS-O-(6-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H53O27 |
| InChI | InChI=1S/C51H52O27/c52-17-34-39(61)42(64)45(67)51(76-34)75-33-16-24-30(14-23(53)15-31(24)73-49-46(68)43(65)40(62)35(77-49)18-70-37(59)9-3-20-1-6-25(54)28(57)11-20)72-48(33)22-5-8-27(56)32(13-22)74-50-47(69)44(66)41(63)36(78-50)19-71-38(60)10-4-21-2-7-26(55)29(58)12-21/h1-16,34-36,39-47,49-52,61-69H,17-19H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34-,35-,36+,39-,40-,41+,42+,43+,44-,45-,46-,47+,49-,50+,51-/m0/s1 |
| InChIKey | FRDGOYDIONPUGI-ULKBKZKDSA-O |
| Literature Reference Author | K.HOSOKAWA,E.FUKUSHI,J.KAWABATA,C.FUJII,T.ITO,S.YAMAMURA |
| Literature Reference Citation | PHYTOCHEM.,40,941(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00242-Y |
| Molecular Weight | 1097.966 g/mol |
| Solvent | CD3OD:TFA-D=9:1 |
| Source File Reference | UWMS2593 |