| SpectraBase Compound ID | EWGwsKwaiKr |
|---|---|
| InChI | InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59-,60-,61-,62+,63-,64+,65-,66-,67-,68-,69+,74+,75+/m1/s1 |
| InChIKey | ODHOTFAKXJWQIS-ZQGQDGQBSA-N |
| Mol Weight | 1441.3 g/mol |
| Molecular Formula | C75H60O30 |
| Exact Mass | 1440.316941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RAUogPmQSo |
|---|---|
| Name | PAVETANNIN-D1;EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8,2-BETA->O->7)-EPICATECHIN-(4-BETA->8)-EPICATECHIN-(4-BETA->8)-EPICATECHIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H60O30 |
| InChI | InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)53-43(90)20-44(91)54-61(65(98)68(102-71(53)54)25-3-8-32(79)38(85)13-25)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-60(64(97)69(103-72(55)58)26-4-9-33(80)39(86)14-26)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59-,60-,61-,62+,63-,64+,65-,66-,67-,68-,69+,74+,75+/m1/s1 |
| InChIKey | ODHOTFAKXJWQIS-ZQGQDGQBSA-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 | 1441.283 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3684 |