| SpectraBase Compound ID | I6nHLHeme5j |
|---|---|
| InChI | InChI=1S/C56H40O12/c57-29-9-1-24(2-10-29)42-48-38(64)22-37-46-44-36(20-35(63)21-40(44)67-54(46)27-7-15-32(60)16-8-27)45-47-39(65)23-41-49(50(47)52(42)56(37,55(48)66)51(45)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)53(68-41)26-5-13-31(59)14-6-26/h1-23,42-43,45-46,48,51-54,57-63,65H/t42-,43+,45-,46+,48+,51-,52-,53-,54-,56+/m0/s1 |
| InChIKey | QENCSSQOFHZZCZ-PSGPQVICSA-N |
| Mol Weight | 904.9 g/mol |
| Molecular Formula | C56H40O12 |
| Exact Mass | 904.251977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJaP1LD2QJ5 |
|---|---|
| Name | KOBOPHENOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H40O12 |
| InChI | InChI=1S/C56H40O12/c57-29-9-1-24(2-10-29)42-48-38(64)22-37-46-44-36(20-35(63)21-40(44)67-54(46)27-7-15-32(60)16-8-27)45-47-39(65)23-41-49(50(47)52(42)56(37,55(48)66)51(45)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)53(68-41)26-5-13-31(59)14-6-26/h1-23,42-43,45-46,48,51-54,57-63,65H/t42-,43+,45-,46+,48+,51-,52-,53-,54-,56+/m0/s1 |
| InChIKey | QENCSSQOFHZZCZ-PSGPQVICSA-N |
| Literature Reference Author | Y.MENG,P.C.BOURNE,P.WHITING,V.SIK,L.DINAN |
| Literature Reference Citation | PHYTOCHEM.,57,393(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00061-9 |
| Molecular Weight | 904.926 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2217 |