| SpectraBase Compound ID | 5vmIUHDtVSf |
|---|---|
| InChI | InChI=1S/C25H28O13/c1-33-15-10-13(24(31)32)5-6-14(15)37-25-23(30)22(29)21(28)18(38-25)11-36-19(26)7-4-12-8-16(34-2)20(27)17(9-12)35-3/h4-10,18,21-23,25,27-30H,11H2,1-3H3,(H,31,32)/b7-4+/t18-,21-,22+,23-,25-/m0/s1 |
| InChIKey | SSFMJKGLSYRLSQ-WSDPCOFISA-N |
| Mol Weight | 536.49 g/mol |
| Molecular Formula | C25H28O13 |
| Exact Mass | 536.152991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lu2iTHfCGlc |
|---|---|
| Name | VANILLIC_ACID_4-O-BETA-D-(6'-SINAPOYL)-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O13 |
| InChI | InChI=1S/C25H28O13/c1-33-15-10-13(24(31)32)5-6-14(15)37-25-23(30)22(29)21(28)18(38-25)11-36-19(26)7-4-12-8-16(34-2)20(27)17(9-12)35-3/h4-10,18,21-23,25,27-30H,11H2,1-3H3,(H,31,32)/b7-4+/t18-,21-,22+,23-,25-/m0/s1 |
| InChIKey | SSFMJKGLSYRLSQ-WSDPCOFISA-N |
| Literature Reference Author | H.J.KIM,E.J.KIM,S.H.SEO,C.G.SHIN,C.JIN,Y.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,69,600(2006) |
| Literature Reference DOI | 10.1021/np050447r |
| Molecular Weight | 536.490 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18214 |