| SpectraBase Compound ID | HLMFB6QBR9V |
|---|---|
| InChI | InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48+,49+,50-,52+,53-,54-,55+,56-,59-,60+/m0/s1 |
| InChIKey | VFVVDFLDUBZQGX-FWFIRWOKSA-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 | EhkBZF53NXv |
|---|---|
| Name | PAVETANNIN-C1;EPICATECHIN-(4-BETA->6)-EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-EPICATECHIN |
| Compound Number | 4 |
| 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)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48+,49+,50-,52+,53-,54-,55+,56-,59-,60+/m0/s1 |
| InChIKey | VFVVDFLDUBZQGX-FWFIRWOKSA-N |
| Literature Reference Author | A.M.BALDE,T.D.BRUYNE,L.PIETERS,H.KOLODZIEJ,D.V.BERGHE,M.CLAE YS,A.VLIETINCK |
| Literature Reference Citation | PHYTOCHEM.,38,719(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00660-L |
| Molecular Weight | 1153.027 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3683 |