| SpectraBase Compound ID | HbCrBXrWUiU |
|---|---|
| InChI | InChI=1S/C36H28O15/c37-15-6-22(40)19-11-27(45)35(50-28(19)8-15)18-10-26(44)33(47)31-17(18)3-14(5-25(43)32(31)46)36(48)51-30-12-20-23(41)7-16(38)9-29(20)49-34(30)13-1-2-21(39)24(42)4-13/h1-10,27,30,34-35,37-42,44-45,47H,11-12H2,(H,43,46)/t27-,30+,34+,35-/m1/s1 |
| InChIKey | BPJXCOMQKJXVTC-WMMXUFHXSA-N |
| Mol Weight | 700.6 g/mol |
| Molecular Formula | C36H28O15 |
| Exact Mass | 700.14282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8gs1LcKjEN |
|---|---|
| Name | THEAFLAVATE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H28O15 |
| InChI | InChI=1S/C36H28O15/c37-15-6-22(40)19-11-27(45)35(50-28(19)8-15)18-10-26(44)33(47)31-17(18)3-14(5-25(43)32(31)46)36(48)51-30-12-20-23(41)7-16(38)9-29(20)49-34(30)13-1-2-21(39)24(42)4-13/h1-10,27,30,34-35,37-42,44-45,47H,11-12H2,(H,43,46)/t27-,30+,34+,35-/m1/s1 |
| InChIKey | BPJXCOMQKJXVTC-WMMXUFHXSA-N |
| Literature Reference Author | J.R.LEWIS,A.L.DAVIS,Y.CAI,A.P.DAVIES,J.P.G.WILKINS,M.PENNING TON |
| Literature Reference Citation | PHYTOCHEM.,49,2511(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00153-8 |
| Molecular Weight | 700.609 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU1114 |