| SpectraBase Compound ID | 5cTUQve18ei |
|---|---|
| InChI | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41?/m1/s1 |
| InChIKey | WTKZYPVTAXZSEM-PYGBXMOSSA-N |
| Mol Weight | 952.6 g/mol |
| Molecular Formula | C41H28O27 |
| Exact Mass | 952.081796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gk2zoiqQTCo |
|---|---|
| Name | GERANIIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H28O27 |
| InChI | InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41?/m1/s1 |
| InChIKey | WTKZYPVTAXZSEM-PYGBXMOSSA-N |
| Literature Reference Author | T.YOSHIDA,T.OKUDA |
| Literature Reference Citation | HETEROCYCLES,14,1743(1980) |
| Literature Reference DOI | 10.3987/R-1980-11-1743 |
| Molecular Weight | 952.657 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWED9022 |