| SpectraBase Compound ID | DnnECZ9zoo7 |
|---|---|
| InChI | InChI=1S/C57H82O21/c1-28(58)68-27-37-41(69-29(2)59)42(70-30(3)60)46(73-33(6)63)49(75-37)78-51(66)57-24-22-52(8,9)26-36(57)35-16-17-39-54(12)20-19-40(53(10,11)38(54)18-21-56(39,14)55(35,13)23-25-57)76-50-47(74-34(7)64)44(72-32(5)62)43(71-31(4)61)45(77-50)48(65)67-15/h16,36-47,49-50H,17-27H2,1-15H3/t36-,37+,38?,39?,40-,41+,42-,43-,44-,45-,46+,47+,49-,50+,54-,55+,56+,57-/m0/s1 |
| InChIKey | LTLXBTPNNXPCGB-LKTZMIAASA-N |
| Mol Weight | 1103.3 g/mol |
| Molecular Formula | C57H82O21 |
| Exact Mass | 1102.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLQgUrqqwlA |
|---|---|
| Name | 3-O-(METHYL-BETA-D-GLUCURONOPYRANOSIDURONOATE)-28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLATE-PERACETYLATED |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H82O21 |
| InChI | InChI=1S/C57H82O21/c1-28(58)68-27-37-41(69-29(2)59)42(70-30(3)60)46(73-33(6)63)49(75-37)78-51(66)57-24-22-52(8,9)26-36(57)35-16-17-39-54(12)20-19-40(53(10,11)38(54)18-21-56(39,14)55(35,13)23-25-57)76-50-47(74-34(7)64)44(72-32(5)62)43(71-31(4)61)45(77-50)48(65)67-15/h16,36-47,49-50H,17-27H2,1-15H3/t36-,37+,38?,39?,40-,41+,42-,43-,44-,45-,46+,47+,49-,50+,54-,55+,56+,57-/m0/s1 |
| InChIKey | LTLXBTPNNXPCGB-LKTZMIAASA-N |
| Literature Reference Author | S.MARQUINA,N.MALDONADO,M.L.GARDUNO-RAMIREZ,E.ARANDA,M.L.VILL ARREAL,V.NAVARRO,R.B |
| Literature Reference Citation | PHYTOCHEM.,56,93(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00283-1 |
| Molecular Weight | 1103.265 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN1664 |