![PINORESINOL-O-[6-O-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/Gx5a2oVoU0J/structure.png?h=300&w=458 "PINORESINOL-O-[6-O-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | HfyaXqpUYZi |
|---|---|
| InChI | InChI=1S/C35H38O14/c1-43-26-12-18(5-8-23(26)37)33-20-14-47-34(21(20)15-46-33)19-6-9-25(27(13-19)44-2)48-35-32(42)31(41)30(40)28(49-35)16-45-29(39)10-4-17-3-7-22(36)24(38)11-17/h3-13,20-21,28,30-38,40-42H,14-16H2,1-2H3/b10-4+/t20-,21-,28+,30+,31-,32+,33+,34+,35+/m0/s1 |
| InChIKey | KPMZYGUIZDRZNP-ZTQLMWCPSA-N |
| Mol Weight | 682.7 g/mol |
| Molecular Formula | C35H38O14 |
| Exact Mass | 682.226156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gx5a2oVoU0J |
|---|---|
| Name | PINORESINOL-O-[6-O-(E)-CAFFEOYL]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H38O14 |
| InChI | InChI=1S/C35H38O14/c1-43-26-12-18(5-8-23(26)37)33-20-14-47-34(21(20)15-46-33)19-6-9-25(27(13-19)44-2)48-35-32(42)31(41)30(40)28(49-35)16-45-29(39)10-4-17-3-7-22(36)24(38)11-17/h3-13,20-21,28,30-38,40-42H,14-16H2,1-2H3/b10-4+/t20-,21-,28+,30+,31-,32+,33+,34+,35+/m0/s1 |
| InChIKey | KPMZYGUIZDRZNP-ZTQLMWCPSA-N |
| Literature Reference Author | Y.NAGATANI,T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,583(2002) |
| Literature Reference DOI | 10.1248/cpb.50.583 |
| Molecular Weight | 682.678 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN8116 |