| SpectraBase Compound ID | HagQobhOUka |
|---|---|
| InChI | InChI=1S/C25H32O13/c1-11(3-2-4-14-12(9-19(29)30)5-6-15(14)26)37-25-23(34)22(33)21(32)18(38-25)10-36-24(35)13-7-16(27)20(31)17(28)8-13/h2-3,7-8,11-12,14,18,21-23,25,27-28,31-34H,4-6,9-10H2,1H3,(H,29,30)/b3-2-/t11-,12+,14+,18-,21-,22+,23-,25-/m1/s1 |
| InChIKey | GVYRDMUQLHIZPL-NXGRCOQSSA-N |
| Mol Weight | 540.5 g/mol |
| Molecular Formula | C25H32O13 |
| Exact Mass | 540.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLjj79PwBH1 |
|---|---|
| Name | JAMUTANNIN_A;5-(5-CARBOXYMETHYL-2-OXOCYCLOPENTYL)-3-Z-2-S-PENTENYL-BETA-(6-O-GALLOYL)-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O13 |
| InChI | InChI=1S/C25H32O13/c1-11(3-2-4-14-12(9-19(29)30)5-6-15(14)26)37-25-23(34)22(33)21(32)18(38-25)10-36-24(35)13-7-16(27)20(31)17(28)8-13/h2-3,7-8,11-12,14,18,21-23,25,27-28,31-34H,4-6,9-10H2,1H3,(H,29,30)/b3-2-/t11-,12+,14+,18-,21-,22+,23-,25-/m1/s1 |
| InChIKey | GVYRDMUQLHIZPL-NXGRCOQSSA-N |
| Literature Reference Author | R.OMAR,L.TI,T.YUAN,N.P.SEERAM |
| Literature Reference Citation | J.NAT.PROD.,75,1505(2012) |
| Literature Reference DOI | 10.1021/np300417q |
| Molecular Weight | 540.521 g/mol |
| Sample ID | 41395 |
| Solvent | CD3OD |