![(3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL-3-O-[2,6-BIS-O-(BETA-D-APIOFURANOSYL)-BETA-D-GLUCOPYRANOSIDE]](/api/spectrum/20BPxVtDTfT/structure.png?h=300&w=458 "(3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL-3-O-[2,6-BIS-O-(BETA-D-APIOFURANOSYL)-BETA-D-GLUCOPYRANOSIDE]")
| SpectraBase Compound ID | 5BRKcIeHLio |
|---|---|
| InChI | InChI=1S/C35H50O16/c36-16-34(44)18-47-32(29(34)42)46-15-25-26(40)27(41)28(51-33-30(43)35(45,17-37)19-48-33)31(50-25)49-24(14-9-21-7-12-23(39)13-8-21)4-2-1-3-20-5-10-22(38)11-6-20/h5-8,10-13,24-33,36-45H,1-4,9,14-19H2/t24-,25-,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | ZYZHMHXSPPAVCD-WBOYDFPWSA-N |
| Mol Weight | 726.8 g/mol |
| Molecular Formula | C35H50O16 |
| Exact Mass | 726.309886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20BPxVtDTfT |
|---|---|
| Name | (3R)-1,7-BIS-(4-HYDROXYPHENYL)-3-HEPTANOL-3-O-[2,6-BIS-O-(BETA-D-APIOFURANOSYL)-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O16 |
| InChI | InChI=1S/C35H50O16/c36-16-34(44)18-47-32(29(34)42)46-15-25-26(40)27(41)28(51-33-30(43)35(45,17-37)19-48-33)31(50-25)49-24(14-9-21-7-12-23(39)13-8-21)4-2-1-3-20-5-10-22(38)11-6-20/h5-8,10-13,24-33,36-45H,1-4,9,14-19H2/t24-,25-,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | ZYZHMHXSPPAVCD-WBOYDFPWSA-N |
| Literature Reference Author | E.SMITE,L.N.LUNDGREN,R.ANDERSSON |
| Literature Reference Citation | PHYTOCHEM.,32,365(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94995-1 |
| Molecular Weight | 726.772 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3633 |