| SpectraBase Compound ID | IRBpkC9QjHH |
|---|---|
| InChI | InChI=1S/C46H54O26/c1-17(47)60-15-30-38(64-20(4)50)40(66-22(6)52)42(68-24(8)54)44(71-30)61-16-31-39(65-21(5)51)41(67-23(7)53)43(69-25(9)55)45(72-31)70-27-12-28(59-11)37(63-19(3)49)34-33(27)36(57)32-26(35(34)56)13-46(10,58)14-29(32)62-18(2)48/h12,29-31,38-45,58H,13-16H2,1-11H3/t29-,30-,31+,38-,39+,40+,41-,42-,43+,44-,45+,46-/m1/s1 |
| InChIKey | KFKRYSRTUGERHL-UTSFBNPQSA-N |
| Mol Weight | 1022.9 g/mol |
| Molecular Formula | C46H54O26 |
| Exact Mass | 1022.290332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nK41l5SbKH |
|---|---|
| Name | (1S,3S)-AUSTROCORTIRUBIN-8-O-BETA-D-GENTIOBIOSIDE-NONAACETATE;(1S,3S)-1,5-DIACETOXY-3-HYDROXY-6-METHOXY-3-METHYL-8-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4 |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O26 |
| InChI | InChI=1S/C46H54O26/c1-17(47)60-15-30-38(64-20(4)50)40(66-22(6)52)42(68-24(8)54)44(71-30)61-16-31-39(65-21(5)51)41(67-23(7)53)43(69-25(9)55)45(72-31)70-27-12-28(59-11)37(63-19(3)49)34-33(27)36(57)32-26(35(34)56)13-46(10,58)14-29(32)62-18(2)48/h12,29-31,38-45,58H,13-16H2,1-11H3/t29-,30-,31+,38-,39+,40+,41-,42-,43+,44-,45+,46-/m1/s1 |
| InChIKey | KFKRYSRTUGERHL-UTSFBNPQSA-N |
| Literature Reference Author | M.GILL,A.F.SMRDEL |
| Literature Reference Citation | AUSTR.J.CHEM.,53,47(2000) |
| Literature Reference DOI | 10.1071/CH99176 |
| Molecular Weight | 1022.919 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2850 |