| SpectraBase Compound ID | DEx4nxSzRqN |
|---|---|
| InChI | InChI=1S/C25H32O13/c26-15-6-5-12(10-19(29)30)14(15)4-2-1-3-7-36-25-23(34)22(33)21(32)18(38-25)11-37-24(35)13-8-16(27)20(31)17(28)9-13/h1-2,8-9,12,14,18,21-23,25,27-28,31-34H,3-7,10-11H2,(H,29,30)/b2-1-/t12-,14-,18-,21-,22+,23-,25-/m1/s1 |
| InChIKey | YNGJOPKAULIOQY-QUZKLYMESA-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 | FT7yGcAETN8 |
|---|---|
| Name | (1'-R,5'-R)-5-(5-CARBOXYMETHYL-2-OXOCYCLOPENTYL)-3-Z-PENTENYL_BETA-D-(6-O-GALLOYL)-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O13 |
| InChI | InChI=1S/C25H32O13/c26-15-6-5-12(10-19(29)30)14(15)4-2-1-3-7-36-25-23(34)22(33)21(32)18(38-25)11-37-24(35)13-8-16(27)20(31)17(28)9-13/h1-2,8-9,12,14,18,21-23,25,27-28,31-34H,3-7,10-11H2,(H,29,30)/b2-1-/t12-,14-,18-,21-,22+,23-,25-/m1/s1 |
| InChIKey | YNGJOPKAULIOQY-QUZKLYMESA-N |
| Literature Reference Author | H.KIKUZAKI,Y.MIYAJIMA,N.NAKATANI |
| Literature Reference Citation | J.NAT.PROD.,71,861(2008) |
| Literature Reference DOI | 10.1021/np0705615 |
| Molecular Weight | 540.521 g/mol |
| Sample ID | 28298 |
| Solvent | CD3OD |