| SpectraBase Compound ID | 4YPgZDmj75r |
|---|---|
| InChI | InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35+,39+,40-,41+,42?,43+/m0/s1 |
| InChIKey | NVTLDVSBUJGIAD-UGEGBEOJSA-N |
| Mol Weight | 914.8 g/mol |
| Molecular Formula | C45H38O21 |
| Exact Mass | 914.190558 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OxRxjU0EW9 |
|---|---|
| Name | GALLOCATECHIN-(4-ALPHA->8)-GALLOCATECHIN-(4-ALPHA->8)-GALLOCATECHIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H38O21 |
| InChI | InChI=1S/C45H38O21/c46-15-7-18(48)30-29(8-15)64-42(13-3-24(54)37(60)25(55)4-13)39(62)34(30)32-20(50)11-21(51)33-35(40(63)43(66-45(32)33)14-5-26(56)38(61)27(57)6-14)31-19(49)10-17(47)16-9-28(58)41(65-44(16)31)12-1-22(52)36(59)23(53)2-12/h1-8,10-11,28,34-35,39-43,46-63H,9H2/t28-,34+,35+,39+,40-,41+,42?,43+/m0/s1 |
| InChIKey | NVTLDVSBUJGIAD-UGEGBEOJSA-N |
| Literature Reference Author | M.TITS,L.ANGENOT,P.POUKENS,R.WARIN,Y.DIERCKXSENS |
| Literature Reference Citation | PHYTOCHEM.,31,971(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80050-o |
| Molecular Weight | 914.784 g/mol |
| Solvent | ACETONE-D6:H2O=1:1 |
| Source File Reference | UWVN4995 |