| SpectraBase Compound ID | DQp68cV3HNw |
|---|---|
| InChI | InChI=1S/C25H28O12/c1-12-19-14(9-18(27)35-12)15(23(31)32)10-34-24(19)37-25-22(30)21(29)20(28)16(36-25)11-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,10,12,14,16,19-22,24-25,28-30H,9,11H2,1H3,(H,31,32)/b8-7+/t12-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1 |
| InChIKey | XPUDIJARFNUSHK-YAXUBKDVSA-N |
| Mol Weight | 520.49 g/mol |
| Molecular Formula | C25H28O12 |
| Exact Mass | 520.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tKVAHJoBhL |
|---|---|
| Name | 6'-O-TRANS-CINNAMOYL-8-EPI-KINGISIDIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O12 |
| InChI | InChI=1S/C25H28O12/c1-12-19-14(9-18(27)35-12)15(23(31)32)10-34-24(19)37-25-22(30)21(29)20(28)16(36-25)11-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,10,12,14,16,19-22,24-25,28-30H,9,11H2,1H3,(H,31,32)/b8-7+/t12-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1 |
| InChIKey | XPUDIJARFNUSHK-YAXUBKDVSA-N |
| Literature Reference Author | S.AOKI,Y.HONDA,T.KIKUCHI,T.MIURA,R.SUGAWARA,Y.YAOITA,M.KIKUC HI,K.MACHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,251(2012) |
| Literature Reference DOI | 10.1248/cpb.60.251 |
| Molecular Weight | 520.490 g/mol |
| Source File Reference | UWBT4282 |