![PINOCEMBrIN-7-O-[3''-O-GALLOYL-4'',6''-(S)-HHDP]-BETA-D-GLUCOSE](/api/spectrum/AUgfzHvZ5Hq/structure.png?h=300&w=458 "PINOCEMBrIN-7-O-[3''-O-GALLOYL-4'',6''-(S)-HHDP]-BETA-D-GLUCOSE")
| SpectraBase Compound ID | BX9lBo2MDar |
|---|---|
| InChI | InChI=1S/C42H32O21/c43-19-8-16(9-26-30(19)20(44)12-25(60-26)14-4-2-1-3-5-14)59-42-36(54)38(63-39(55)15-6-21(45)31(49)22(46)7-15)37-27(61-42)13-58-40(56)17-10-23(47)32(50)34(52)28(17)29-18(41(57)62-37)11-24(48)33(51)35(29)53/h1-11,25,27,36-38,42-43,45-54H,12-13H2/t25?,27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | HJEXOQUMFMERIM-MBYMADTOSA-N |
| Mol Weight | 872.7 g/mol |
| Molecular Formula | C42H32O21 |
| Exact Mass | 872.143608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUgfzHvZ5Hq |
|---|---|
| Name | PINOCEMBrIN-7-O-[3''-O-GALLOYL-4'',6''-(S)-HHDP]-BETA-D-GLUCOSE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H32O21 |
| InChI | InChI=1S/C42H32O21/c43-19-8-16(9-26-30(19)20(44)12-25(60-26)14-4-2-1-3-5-14)59-42-36(54)38(63-39(55)15-6-21(45)31(49)22(46)7-15)37-27(61-42)13-58-40(56)17-10-23(47)32(50)34(52)28(17)29-18(41(57)62-37)11-24(48)33(51)35(29)53/h1-11,25,27,36-38,42-43,45-54H,12-13H2/t25?,27-,36-,37-,38-,42-/m1/s1 |
| InChIKey | HJEXOQUMFMERIM-MBYMADTOSA-N |
| Literature Reference Author | Y.L.HUANG,C.C.CHEN,F.L.HSU,C.F.CHEN |
| Literature Reference Citation | J.NAT.PROD.,61,523(1998) |
| Literature Reference DOI | 10.1021/np970428k |
| Molecular Weight | 872.703 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP207 |