| SpectraBase Compound ID | 9actwP4XDZv |
|---|---|
| InChI | InChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(29-3)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1 |
| InChIKey | ULPUBSPPYRXUOZ-BNEJOLLZSA-N |
| Mol Weight | 450.4 g/mol |
| Molecular Formula | C20H22N2O10 |
| Exact Mass | 450.127445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AnRXbNgj6P |
|---|---|
| Name | KIPUKASIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H22N2O10 |
| InChI | InChI=1S/C20H22N2O10/c1-9-6-11(25)7-12(29-3)15(9)19(27)32-16-13(8-23)31-18(17(16)30-10(2)24)22-5-4-14(26)21-20(22)28/h4-7,13,16-18,23,25H,8H2,1-3H3,(H,21,26,28)/t13-,16-,17-,18-/m1/s1 |
| InChIKey | ULPUBSPPYRXUOZ-BNEJOLLZSA-N |
| Literature Reference Author | P.JIAO,S.V.MUDUR,J.B.GLOER,D.T.WICKLOW |
| Literature Reference Citation | J.NAT.PROD.,70,1308(2007) |
| Literature Reference DOI | 10.1021/np070241l |
| Molecular Weight | 450.402 g/mol |
| Sample ID | 31414 |
| Solvent | CDCl3 |