| SpectraBase Compound ID | Bcu3PCT3vvZ |
|---|---|
| InChI | InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17?,18?,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m0/s1 |
| InChIKey | SBVBJPHMDABKJV-OVXVAMGNSA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C32H46O16 |
| Exact Mass | 686.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8QnQaJMzjD |
|---|---|
| Name | SECOISOLARICIRESINOL-DI-BETA-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O16 |
| InChI | InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17?,18?,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-/m0/s1 |
| InChIKey | SBVBJPHMDABKJV-OVXVAMGNSA-N |
| Literature Reference Author | K.STRUIJS,J.P.VINCKEN,R.VERHOEF,W.H.M.V.O.V.CASTEREN,A.G.J.V ORAGEN,H.GRUPPEN |
| Literature Reference Citation | PHYTOCHEM.,68,1227(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.10.022 |
| Molecular Weight | 686.708 g/mol |
| Sample ID | 62395 |
| Solvent | CD3OD |