| SpectraBase Compound ID | Ev77vR5MiQi |
|---|---|
| InChI | InChI=1S/C46H58O15/c1-25(47)56-32-11-7-29(8-12-32)9-14-38(51)55-24-37-40(57-26(2)48)41(58-27(3)49)42(59-28(4)50)43(61-37)60-33-15-18-44(5)31(22-33)10-13-36-35(44)16-19-45(6)34(17-20-46(36,45)53)30-21-39(52)54-23-30/h7-9,11-12,14,21,31,33-37,40-43,53H,10,13,15-20,22-24H2,1-6H3/b14-9+/t31-,33-,34+,35-,36+,37+,40+,41-,42+,43+,44-,45+,46-/m0/s1 |
| InChIKey | KUXYZDIUHIJPAY-KXMMFOKUSA-N |
| Mol Weight | 851.0 g/mol |
| Molecular Formula | C46H58O15 |
| Exact Mass | 850.377571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mxU9NvWS2y |
|---|---|
| Name | 6'-O-(E-4-HYDROXYCINNAMOYL)-DESGLUCOUZARIN-TETRAACETATE |
| Compound Number | 5AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H58O15 |
| InChI | InChI=1S/C46H58O15/c1-25(47)56-32-11-7-29(8-12-32)9-14-38(51)55-24-37-40(57-26(2)48)41(58-27(3)49)42(59-28(4)50)43(61-37)60-33-15-18-44(5)31(22-33)10-13-36-35(44)16-19-45(6)34(17-20-46(36,45)53)30-21-39(52)54-23-30/h7-9,11-12,14,21,31,33-37,40-43,53H,10,13,15-20,22-24H2,1-6H3/b14-9+/t31-,33-,34+,35-,36+,37+,40+,41-,42+,43+,44-,45+,46-/m0/s1 |
| InChIKey | KUXYZDIUHIJPAY-KXMMFOKUSA-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 | 850.958 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU28151 |