![EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-6)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE](/api/spectrum/B4EPrUCsSwo/structure.png?h=300&w=458 "EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-6)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE")
| SpectraBase Compound ID | 9ksP2w47u4f |
|---|---|
| InChI | InChI=1S/C98H86O43/c1-38(99)118-61-32-73(129-49(12)110)79-75(34-61)137-89(58-21-25-65(121-41(4)102)70(29-58)126-46(9)107)95(134-54(17)115)82(79)86-92(133-53(16)114)85-83(81-76(131-51(14)112)37-68(124-44(7)105)63-36-78(132-52(15)113)88(138-91(63)81)57-20-24-64(120-40(3)101)69(28-57)125-45(8)106)96(135-55(18)116)90(59-22-26-66(122-42(5)103)71(30-59)127-47(10)108)139-93(85)87-84-80-74(130-50(13)111)33-62(119-39(2)100)35-77(80)140-98(141-94(86)87,97(84)136-56(19)117)60-23-27-67(123-43(6)104)72(31-60)128-48(11)109/h20-35,37,78,82-84,88-90,95-97H,36H2,1-19H3/t78-,82-,83+,84-,88-,89-,90-,95-,96-,97-,98+/m1/s1 |
| InChIKey | QSIPYXFUDYVVML-SYLFDDLCSA-N |
| Mol Weight | 1951.7 g/mol |
| Molecular Formula | C98H86O43 |
| Exact Mass | 1950.454281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4EPrUCsSwo |
|---|---|
| Name | EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPICATECHIN-(4[BETA]-6)-EPICATECHIN-(4[BETA]-8)-EPICATECHIN-PERACETATE |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C98H86O43 |
| InChI | InChI=1S/C98H86O43/c1-38(99)118-61-32-73(129-49(12)110)79-75(34-61)137-89(58-21-25-65(121-41(4)102)70(29-58)126-46(9)107)95(134-54(17)115)82(79)86-92(133-53(16)114)85-83(81-76(131-51(14)112)37-68(124-44(7)105)63-36-78(132-52(15)113)88(138-91(63)81)57-20-24-64(120-40(3)101)69(28-57)125-45(8)106)96(135-55(18)116)90(59-22-26-66(122-42(5)103)71(30-59)127-47(10)108)139-93(85)87-84-80-74(130-50(13)111)33-62(119-39(2)100)35-77(80)140-98(141-94(86)87,97(84)136-56(19)117)60-23-27-67(123-43(6)104)72(31-60)128-48(11)109/h20-35,37,78,82-84,88-90,95-97H,36H2,1-19H3/t78-,82-,83+,84-,88-,89-,90-,95-,96-,97-,98+/m1/s1 |
| InChIKey | QSIPYXFUDYVVML-SYLFDDLCSA-N |
| Literature Reference Author | J.BICKER,F.PETEREIT,A.HENSEL |
| Literature Reference Citation | FITOTERAPIA,80,483(2009) |
| Literature Reference DOI | 10.1016/j.fitote.2009.08.015 |
| Molecular Weight | 1951.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB1238 |