| SpectraBase Compound ID | 7tjyFfyDaIR |
|---|---|
| InChI | InChI=1S/C42H30O26/c1-64-38(59)7-2-11(43)27(51)31(55)19(7)22-21-23-20(32(56)34(58)33(21)57)18-10(5-14(46)26(50)30(18)54)41(62)68-37(36(22)67-42(23)63)35-15(47)6-65-39(60)8-3-12(44)24(48)28(52)16(8)17-9(40(61)66-35)4-13(45)25(49)29(17)53/h2-5,15,22,35-37,43-58H,6H2,1H3/t15-,22-,35-,36+,37-/m1/s1 |
| InChIKey | GTHKFYXPOPHMRR-QTQMPMJFSA-N |
| Mol Weight | 950.7 g/mol |
| Molecular Formula | C42H30O26 |
| Exact Mass | 950.102531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZoOt8tgA3d |
|---|---|
| Name | PAEONIANIN-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H30O26 |
| InChI | InChI=1S/C42H30O26/c1-64-38(59)7-2-11(43)27(51)31(55)19(7)22-21-23-20(32(56)34(58)33(21)57)18-10(5-14(46)26(50)30(18)54)41(62)68-37(36(22)67-42(23)63)35-15(47)6-65-39(60)8-3-12(44)24(48)28(52)16(8)17-9(40(61)66-35)4-13(45)25(49)29(17)53/h2-5,15,22,35-37,43-58H,6H2,1H3/t15-,22-,35-,36+,37-/m1/s1 |
| InChIKey | GTHKFYXPOPHMRR-QTQMPMJFSA-N |
| Literature Reference Author | T.TANAKA,M.FUKUMORI,T.OCHI,I.KOUNO |
| Literature Reference Citation | J.NAT.PROD.,66,759(2003) |
| Literature Reference DOI | 10.1021/np020608g |
| Molecular Weight | 950.685 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWSI7831 |