| SpectraBase Compound ID | IkPbrJp8qgl |
|---|---|
| InChI | InChI=1S/C24H28O12/c25-11-17-19(28)20(29)21(30)22(36-17)35-16-7-3-14(4-8-16)12-34-18(27)10-24(33,23(31)32)9-13-1-5-15(26)6-2-13/h1-8,17,19-22,25-26,28-30,33H,9-12H2,(H,31,32)/t17-,19-,20+,21-,22-,24+/m0/s1 |
| InChIKey | LQXFPSIXNFKWHE-VMAZJTETSA-N |
| Mol Weight | 508.48 g/mol |
| Molecular Formula | C24H28O12 |
| Exact Mass | 508.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29RkmxVlcic |
|---|---|
| Name | VANDATEROSIDE_I;4-(4'-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2-(PARA-HYDROXYBENZYL)-MALATE;4-(4'-BETA-D-GLUCOPYRANOSYLOXYBENZYL))-EUCOMATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H28O12 |
| InChI | InChI=1S/C24H28O12/c25-11-17-19(28)20(29)21(30)22(36-17)35-16-7-3-14(4-8-16)12-34-18(27)10-24(33,23(31)32)9-13-1-5-15(26)6-2-13/h1-8,17,19-22,25-26,28-30,33H,9-12H2,(H,31,32)/t17-,19-,20+,21-,22-,24+/m0/s1 |
| InChIKey | LQXFPSIXNFKWHE-VMAZJTETSA-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 | 508.479 g/mol |
| Sample ID | 38047 |
| Solvent | DMSO-D6 |