| SpectraBase Compound ID | 6nEpXsRaVVW |
|---|---|
| InChI | InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48?,49-,50+,51-,52?,53-,54-,55?,59+,60+/m0/s1 |
| InChIKey | QRQAODSINXAOBF-IFVJUDMISA-N |
| Mol Weight | 1153.0 g/mol |
| Molecular Formula | C60H48O24 |
| Exact Mass | 1152.253552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3mYINyYRBYe |
|---|---|
| Name | EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-EPICATECHIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H48O24 |
| InChI | InChI=1S/C60H48O24/c61-23-13-34(71)42-40(14-23)80-54(20-2-6-26(63)31(68)10-20)51(77)48(42)45-36(73)17-37(74)46-50-47-41(83-60(59(50)79,84-58(45)46)22-4-8-28(65)33(70)12-22)18-38(75)44-49(52(78)55(82-57(44)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-39(76)53(81-56(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-55,59,61-79H,15H2/t39-,48?,49-,50+,51-,52?,53-,54-,55?,59+,60+/m0/s1 |
| InChIKey | QRQAODSINXAOBF-IFVJUDMISA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | J.NAT.PROD.,65,505(2002) |
| Literature Reference DOI | 10.1021/np010414l |
| Molecular Weight | 1153.027 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI5571 |