| SpectraBase Compound ID | F0WhPsPvzJo |
|---|---|
| InChI | InChI=1S/C52H60O24/c53-22-34-39(59)42(62)44(64)48(72-34)70-32-15-8-29(9-16-32)25-68-38(58)21-52(20-28-6-13-31(56)14-7-28,51(67)69-26-30-10-17-33(18-11-30)71-49-45(65)43(63)40(60)35(23-54)73-49)76-50-46(66)47(41(61)36(24-55)74-50)75-37(57)19-12-27-4-2-1-3-5-27/h1-19,34-36,39-50,53-56,59-66H,20-26H2/b19-12+/t34-,35-,36+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50-,52-/m1/s1 |
| InChIKey | GKTDZITZKLTZSI-POKGEEOLSA-N |
| Mol Weight | 1069.0 g/mol |
| Molecular Formula | C52H60O24 |
| Exact Mass | 1068.347453 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VI1kPZBBgz |
|---|---|
| Name | VANDATEROSIDE_III;1,4-BIS-(4',4''-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2-(BETA-D-GLCUOPYRANOSYL-3-TRANS-CINNAMYLESTER)-2-(PARA-HYDROXYBENZYL)-MALATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H60O24 |
| InChI | InChI=1S/C52H60O24/c53-22-34-39(59)42(62)44(64)48(72-34)70-32-15-8-29(9-16-32)25-68-38(58)21-52(20-28-6-13-31(56)14-7-28,51(67)69-26-30-10-17-33(18-11-30)71-49-45(65)43(63)40(60)35(23-54)73-49)76-50-46(66)47(41(61)36(24-55)74-50)75-37(57)19-12-27-4-2-1-3-5-27/h1-19,34-36,39-50,53-56,59-66H,20-26H2/b19-12+/t34-,35-,36+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48-,49-,50-,52-/m1/s1 |
| InChIKey | GKTDZITZKLTZSI-POKGEEOLSA-N |
| Literature Reference Author | C.SIMMLER,C.ANTHEAUME,P.ANDRE,F.BONTE,A.LOBSTEIN |
| Literature Reference Citation | J.NAT.PROD.,74,949(2011) |
| Literature Reference DOI | 10.1021/np1006636 |
| Molecular Weight | 1069.034 g/mol |
| Sample ID | 38049 |
| Solvent | DMSO-D6 |