| SpectraBase Compound ID | 3nPDvpODz6P |
|---|---|
| InChI | InChI=1S/C30H35NO16/c32-10-19-22(36)24(38)26(40)29(46-19)44-14-4-1-12(2-5-14)3-6-21(35)31-15-9-18(17(34)8-13(15)7-16(31)28(42)43)45-30-27(41)25(39)23(37)20(11-33)47-30/h1-6,8-9,16,19-20,22-27,29-30,32-34,36-41H,7,10-11H2,(H,42,43)/b6-3+/t16-,19+,20-,22+,23-,24-,25+,26+,27-,29+,30-/m0/s1 |
| InChIKey | FDKIQKZQSBQELL-XSLIFMEESA-N |
| Mol Weight | 665.6 g/mol |
| Molecular Formula | C30H35NO16 |
| Exact Mass | 665.195584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iSiHvnCDZ0 |
|---|---|
| Name | OLERACEIN_C;5-HYDROXY-1-(PARA-COUMARICACYL-7'-O-BETA-GLUCOPYRANOSE)-2,3-DIHYDRO-1-H-INDOLE-2-CARBOXYLIC_ |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H35NO16 |
| InChI | InChI=1S/C30H35NO16/c32-10-19-22(36)24(38)26(40)29(46-19)44-14-4-1-12(2-5-14)3-6-21(35)31-15-9-18(17(34)8-13(15)7-16(31)28(42)43)45-30-27(41)25(39)23(37)20(11-33)47-30/h1-6,8-9,16,19-20,22-27,29-30,32-34,36-41H,7,10-11H2,(H,42,43)/b6-3+/t16-,19+,20-,22+,23-,24-,25+,26+,27-,29+,30-/m0/s1 |
| InChIKey | FDKIQKZQSBQELL-XSLIFMEESA-N |
| Literature Reference Author | L.XIANG,D.XING,W.WANG,R.WANG,Y.DING,L.DU |
| Literature Reference Citation | PHYTOCHEM.,66,2595(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.08.011 |
| Molecular Weight | 665.605 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ19750 |