![[EPICATECHIN-(4-BETA->8)]5-EPICATECHIN](/api/spectrum/AFNaZ7LjbsH/structure.png?h=300&w=458 "[EPICATECHIN-(4-BETA->8)]5-EPICATECHIN")
| SpectraBase Compound ID | 6KDaXA4pYju |
|---|---|
| InChI | InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1 |
| InChIKey | UUOWTYGESRVWCF-WKWFDMPLSA-N |
| Mol Weight | 1731.5 g/mol |
| Molecular Formula | C90H74O36 |
| Exact Mass | 1730.395979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFNaZ7LjbsH |
|---|---|
| Name | [EPICATECHIN-(4-BETA->8)]5-EPICATECHIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H74O36 |
| InChI | InChI=1S/C90H74O36/c91-33-19-48(105)60-59(20-33)121-81(28-2-8-36(93)43(100)14-28)75(116)70(60)62-50(107)23-52(109)64-72(77(118)83(123-87(62)64)30-4-10-38(95)45(102)16-30)66-54(111)25-56(113)68-74(79(120)85(125-89(66)68)32-6-12-40(97)47(104)18-32)69-57(114)26-55(112)67-73(78(119)84(126-90(67)69)31-5-11-39(96)46(103)17-31)65-53(110)24-51(108)63-71(76(117)82(124-88(63)65)29-3-9-37(94)44(101)15-29)61-49(106)22-41(98)34-21-58(115)80(122-86(34)61)27-1-7-35(92)42(99)13-27/h1-20,22-26,58,70-85,91-120H,21H2/t58-,70-,71+,72-,73+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m1/s1 |
| InChIKey | UUOWTYGESRVWCF-WKWFDMPLSA-N |
| Literature Reference Author | L.J.PORTER,Z.MA,B.G.CHAN |
| Literature Reference Citation | PHYTOCHEM.,30,1657(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84228-K |
| Molecular Weight | 1731.556 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU27511 |