| SpectraBase Compound ID | BEkZ38cjeEX |
|---|---|
| InChI | InChI=1S/C37H54O13/c1-12-19(7)34(42)47-29-22(10)44-36(28(41)27(29)40)50-32-30(48-35(43)20(8)13-2)23(11)45-37(33(32)46-25(38)16-17(3)4)49-31-24(18(5)6)15-14-21(9)26(31)39/h12-15,17-18,22-23,27-30,32-33,36-37,39-41H,16H2,1-11H3/b19-12-,20-13-/t22-,23-,27-,28-,29+,30+,32+,33-,36+,37+/m1/s1 |
| InChIKey | GAWVIFWBUQHFJM-JLZBGFAISA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C37H54O13 |
| Exact Mass | 706.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aah4YLP4EH |
|---|---|
| Name | 2-HYDROXYTHYMOL-3-O-(4-O-ANGELOYL-BETA-D-FUCOPYRANOSYL)-(1->3)-(4-O-ANGELOYL-2-O-ISOVALERYL)-BETA-D-FUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H54O13 |
| InChI | InChI=1S/C37H54O13/c1-12-19(7)34(42)47-29-22(10)44-36(28(41)27(29)40)50-32-30(48-35(43)20(8)13-2)23(11)45-37(33(32)46-25(38)16-17(3)4)49-31-24(18(5)6)15-14-21(9)26(31)39/h12-15,17-18,22-23,27-30,32-33,36-37,39-41H,16H2,1-11H3/b19-12-,20-13-/t22-,23-,27-,28-,29+,30+,32+,33-,36+,37+/m1/s1 |
| InChIKey | GAWVIFWBUQHFJM-JLZBGFAISA-N |
| Literature Reference Author | J.HUETHER,C.M.PASSREITER,V.WRAY,G.WILLUHN |
| Literature Reference Citation | PHYTOCHEM.,51,979(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00700-6 |
| Molecular Weight | 706.828 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN958 |