![EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPIAFZELECHIN-(4[ALPHA]-8)-EPICATECHIN-PERACETATE;ROTATIONAL-ISOMER](/api/spectrum/DS382T7Hz3F/structure.png?h=300&w=458 "EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPIAFZELECHIN-(4[ALPHA]-8)-EPICATECHIN-PERACETATE;ROTATIONAL-ISOMER")
| SpectraBase Compound ID | CqlZSWviwk7 |
|---|---|
| InChI | InChI=1S/C71H62O30/c1-29(72)85-45-18-14-42(15-19-45)66-69(96-40(12)83)63(60-54(93-37(9)80)27-50(89-33(5)76)47-26-58(95-39(11)82)65(98-67(47)60)43-16-20-48(87-31(3)74)51(22-43)90-34(6)77)61-55(94-38(10)81)28-57-62(68(61)99-66)64-59-53(92-36(8)79)24-46(86-30(2)73)25-56(59)100-71(101-57,70(64)97-41(13)84)44-17-21-49(88-32(4)75)52(23-44)91-35(7)78/h14-25,27-28,58,63-66,69-70H,26H2,1-13H3/t58-,63-,64-,65-,66-,69-,70-,71+/m1/s1 |
| InChIKey | LCWYFNRJBPLGRZ-YEMFGDOQSA-N |
| Mol Weight | 1395.2 g/mol |
| Molecular Formula | C71H62O30 |
| Exact Mass | 1394.332591 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DS382T7Hz3F |
|---|---|
| Name | EPICATECHIN-(2[BETA]-7,4[BETA]-8)-EPIAFZELECHIN-(4[ALPHA]-8)-EPICATECHIN-PERACETATE;ROTATIONAL-ISOMER |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H62O30 |
| InChI | InChI=1S/C71H62O30/c1-29(72)85-45-18-14-42(15-19-45)66-69(96-40(12)83)63(60-54(93-37(9)80)27-50(89-33(5)76)47-26-58(95-39(11)82)65(98-67(47)60)43-16-20-48(87-31(3)74)51(22-43)90-34(6)77)61-55(94-38(10)81)28-57-62(68(61)99-66)64-59-53(92-36(8)79)24-46(86-30(2)73)25-56(59)100-71(101-57,70(64)97-41(13)84)44-17-21-49(88-32(4)75)52(23-44)91-35(7)78/h14-25,27-28,58,63-66,69-70H,26H2,1-13H3/t58-,63-,64-,65-,66-,69-,70-,71+/m1/s1 |
| InChIKey | LCWYFNRJBPLGRZ-YEMFGDOQSA-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 | 1395.255 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR18007 |