| SpectraBase Compound ID | 7EA72L4WGHS |
|---|---|
| InChI | InChI=1S/C22H32O12/c1-3-4-5-14(10(2)6-16(25)26)33-22-20(30)19(29)18(28)15(34-22)9-32-21(31)11-7-12(23)17(27)13(24)8-11/h7-8,10,14-15,18-20,22-24,27-30H,3-6,9H2,1-2H3,(H,25,26)/t10-,14+,15+,18+,19-,20+,22+/m1/s1 |
| InChIKey | PCVSDYZWDASYAF-BHEWUZKVSA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C22H32O12 |
| Exact Mass | 488.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fNZcr6XGiq |
|---|---|
| Name | (3S,4S)-3-METHYL-4-HYDROXYOCTANOIC-ACID-6'-O-GALLATE-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O12 |
| InChI | InChI=1S/C22H32O12/c1-3-4-5-14(10(2)6-16(25)26)33-22-20(30)19(29)18(28)15(34-22)9-32-21(31)11-7-12(23)17(27)13(24)8-11/h7-8,10,14-15,18-20,22-24,27-30H,3-6,9H2,1-2H3,(H,25,26)/t10-,14+,15+,18+,19-,20+,22+/m1/s1 |
| InChIKey | PCVSDYZWDASYAF-BHEWUZKVSA-N |
| Literature Reference Author | T.TANAKA,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,59,997(1996) |
| Literature Reference DOI | 10.1021/np960483d |
| Molecular Weight | 488.489 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVP771 |