| SpectraBase Compound ID | L1w5ndvuNPT |
|---|---|
| InChI | InChI=1S/C39H56O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,27,30-32,40-42H,12,14-21,23-24H2,1-7H3/b13-9+/t27?,30?,31?,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | NPRKWCDSDHHADP-ZZBRWXKYSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C39H56O5 |
| Exact Mass | 604.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81r7DSga8Ju |
|---|---|
| Name | 3-BETA-(3,4-DIHYDROXYCINNAMOYL)-ERYTHRODIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O5 |
| InChI | InChI=1S/C39H56O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,27,30-32,40-42H,12,14-21,23-24H2,1-7H3/b13-9+/t27?,30?,31?,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | NPRKWCDSDHHADP-ZZBRWXKYSA-N |
| Literature Reference Author | H.Z.XUE,Z.Z.LU,C.KONNO,D.D.SOEJARTO,G.A.CORDELL,H.H.S.FONG,W .HODGSON |
| Literature Reference Citation | PHYTOCHEM.,27,233(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80621-6 |
| Molecular Weight | 604.871 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS6951 |