| SpectraBase Compound ID | KBmDDyaIAll |
|---|---|
| InChI | InChI=1S/C38H50O11/c1-36-14-11-25(48-35-34(44)33(43)32(42)29(49-35)20-47-30(40)10-5-21-3-7-24(39)8-4-21)18-23(36)6-9-28-27(36)12-15-37(2)26(13-16-38(28,37)45)22-17-31(41)46-19-22/h3-5,7-8,10,17,23,25-29,32-35,39,42-45H,6,9,11-16,18-20H2,1-2H3/b10-5+/t23-,25-,26+,27-,28+,29+,32+,33-,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | UXTGZQCKFDJZIH-DYBBNMTPSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C38H50O11 |
| Exact Mass | 682.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVXPXD7CqHl |
|---|---|
| Name | 6'-O-(E-4-HYDROXYCINNAMOYL)-DESGLUCOUZARIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H50O11 |
| InChI | InChI=1S/C38H50O11/c1-36-14-11-25(48-35-34(44)33(43)32(42)29(49-35)20-47-30(40)10-5-21-3-7-24(39)8-4-21)18-23(36)6-9-28-27(36)12-15-37(2)26(13-16-38(28,37)45)22-17-31(41)46-19-22/h3-5,7-8,10,17,23,25-29,32-35,39,42-45H,6,9,11-16,18-20H2,1-2H3/b10-5+/t23-,25-,26+,27-,28+,29+,32+,33-,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | UXTGZQCKFDJZIH-DYBBNMTPSA-N |
| Literature Reference Author | R.A.MARTIN,S.P.LYNCH,F.J.SCHMITZ,E.O.PORDESIMO,S.TOTH,R.Y.HO RTON |
| Literature Reference Citation | PHYTOCHEM.,30,3935(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83439-R |
| Molecular Weight | 682.808 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU28150 |