| SpectraBase Compound ID | 5g4gQ7JjDDw |
|---|---|
| InChI | InChI=1S/C48H68O16/c1-24-15-20-47(42(55)61-30(7)53)21-22-48(43(56)62-31(8)54)32(37(47)25(24)2)13-14-35-45(11)18-17-36(44(9,10)34(45)16-19-46(35,48)12)64-41-40(60-29(6)52)39(59-28(5)51)38(58-27(4)50)33(63-41)23-57-26(3)49/h13,24-25,33-41H,14-23H2,1-12H3/t24?,25?,33-,34?,35?,36?,37?,38-,39+,40-,41+,45?,46?,47?,48?/m0/s1 |
| InChIKey | OCRTXGRPYWRQBS-ISXVPGQPSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C48H68O16 |
| Exact Mass | 900.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gHP5LqZRsV |
|---|---|
| Name | QUINOVIC-ACID-3-BETA-O-BETA-D-GLUCOPYRANOSIDE-PERACETYL-DIMETHYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H68O16 |
| InChI | InChI=1S/C48H68O16/c1-24-15-20-47(42(55)61-30(7)53)21-22-48(43(56)62-31(8)54)32(37(47)25(24)2)13-14-35-45(11)18-17-36(44(9,10)34(45)16-19-46(35,48)12)64-41-40(60-29(6)52)39(59-28(5)51)38(58-27(4)50)33(63-41)23-57-26(3)49/h13,24-25,33-41H,14-23H2,1-12H3/t24?,25?,33-,34?,35?,36?,37?,38-,39+,40-,41+,45?,46?,47?,48?/m0/s1 |
| InChIKey | OCRTXGRPYWRQBS-ISXVPGQPSA-N |
| Literature Reference Author | J.R.D.PAULA,I.J.C.VIEIRA,M.F.D.G.F.D.SILVA,E.R.FO,J.B.FERNAN DES,P.C.VIEIRA,A.L.P |
| Literature Reference Citation | PHYTOCHEM.,44,1449(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00747-9 |
| Molecular Weight | 901.058 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWAN57 |