| SpectraBase Compound ID | Hi1L5y2mLia |
|---|---|
| InChI | InChI=1S/C25H27NO12/c1-36-17-6-11(2-4-15(17)28)3-5-20(30)26-13-9-18(16(29)8-12(13)7-14(26)24(34)35)37-25-23(33)22(32)21(31)19(10-27)38-25/h2-6,8-9,14,19,21-23,25,27-29,31-33H,7,10H2,1H3,(H,34,35)/b5-3+/t14-,19-,21-,22+,23-,25-/m0/s1 |
| InChIKey | HTRBZHHBMJDWGG-PIUYENMKSA-N |
| Mol Weight | 533.49 g/mol |
| Molecular Formula | C25H27NO12 |
| Exact Mass | 533.153325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cm6G1eboyqg |
|---|---|
| Name | OLERACEIN_B;5-HYDROXY-1-FERULIC_ACYL-2,3-DIHYDRO-1-H-INDOLE-2-CARBOXYLIC_ACID-6-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H27NO12 |
| InChI | InChI=1S/C25H27NO12/c1-36-17-6-11(2-4-15(17)28)3-5-20(30)26-13-9-18(16(29)8-12(13)7-14(26)24(34)35)37-25-23(33)22(32)21(31)19(10-27)38-25/h2-6,8-9,14,19,21-23,25,27-29,31-33H,7,10H2,1H3,(H,34,35)/b5-3+/t14-,19-,21-,22+,23-,25-/m0/s1 |
| InChIKey | HTRBZHHBMJDWGG-PIUYENMKSA-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 | 533.489 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ19749 |