![PINOCEMBrIN-7-O-[4'',6''-(S)-HHDP]-BETA-D-GLUCOSE](/api/spectrum/GvsjEdmA9Ms/structure.png?h=300&w=458 "PINOCEMBrIN-7-O-[4'',6''-(S)-HHDP]-BETA-D-GLUCOSE")
| SpectraBase Compound ID | 6h2Jn3413zB |
|---|---|
| InChI | InChI=1S/C35H28O17/c36-16-6-13(7-21-25(16)17(37)10-20(50-21)12-4-2-1-3-5-12)49-35-31(45)30(44)32-22(51-35)11-48-33(46)14-8-18(38)26(40)28(42)23(14)24-15(34(47)52-32)9-19(39)27(41)29(24)43/h1-9,20,22,30-32,35-36,38-45H,10-11H2/t20?,22-,30-,31-,32-,35-/m1/s1 |
| InChIKey | SHBQSNYBINOTIL-OVWKAWMGSA-N |
| Mol Weight | 720.6 g/mol |
| Molecular Formula | C35H28O17 |
| Exact Mass | 720.132649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvsjEdmA9Ms |
|---|---|
| Name | PINOCEMBrIN-7-O-[4'',6''-(S)-HHDP]-BETA-D-GLUCOSE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H28O17 |
| InChI | InChI=1S/C35H28O17/c36-16-6-13(7-21-25(16)17(37)10-20(50-21)12-4-2-1-3-5-12)49-35-31(45)30(44)32-22(51-35)11-48-33(46)14-8-18(38)26(40)28(42)23(14)24-15(34(47)52-32)9-19(39)27(41)29(24)43/h1-9,20,22,30-32,35-36,38-45H,10-11H2/t20?,22-,30-,31-,32-,35-/m1/s1 |
| InChIKey | SHBQSNYBINOTIL-OVWKAWMGSA-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 | 720.597 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP206 |