| SpectraBase Compound ID | C75etxRvz20 |
|---|---|
| InChI | InChI=1S/C29H32O13/c1-4-40-28(36)29(37)14-20(32)27(23(15-29)41-24(33)9-6-16-5-8-18(30)19(31)11-16)42-25(34)10-7-17-12-21(38-2)26(35)22(13-17)39-3/h5-13,20,23,27,30-32,35,37H,4,14-15H2,1-3H3/b9-6+,10-7+/t20-,23-,27-,29+/m0/s1 |
| InChIKey | WTUPZYOQFGPHOS-CVONDNBYSA-N |
| Mol Weight | 588.6 g/mol |
| Molecular Formula | C29H32O13 |
| Exact Mass | 588.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DMWXGpaGApS |
|---|---|
| Name | ETHYL_5-O-CAFFEOYL-4-O-SINPOYLQUINATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O13 |
| InChI | InChI=1S/C29H32O13/c1-4-40-28(36)29(37)14-20(32)27(23(15-29)41-24(33)9-6-16-5-8-18(30)19(31)11-16)42-25(34)10-7-17-12-21(38-2)26(35)22(13-17)39-3/h5-13,20,23,27,30-32,35,37H,4,14-15H2,1-3H3/b9-6+,10-7+/t20-,23-,27-,29+/m0/s1 |
| InChIKey | WTUPZYOQFGPHOS-CVONDNBYSA-N |
| Literature Reference Author | H.J.KIM,E.J.KIM,S.H.SEO,C.G.SHIN,C.JIN,Y.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,69,600(2006) |
| Literature Reference DOI | 10.1021/np050447r |
| Molecular Weight | 588.565 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18216 |