| SpectraBase Compound ID | 6L02AijLlcM |
|---|---|
| InChI | InChI=1S/C42H50O22/c1-17(43)54-15-29-34(56-18(2)44)36(58-20(4)46)38(60-22(6)48)40(63-29)55-16-30-35(57-19(3)45)37(59-21(5)47)39(61-23(7)49)41(64-30)62-28-12-26(53-9)11-24-10-25-13-42(8,52)14-27(50)31(25)33(51)32(24)28/h10-12,29-30,34-41,51-52H,13-16H2,1-9H3/t29-,30+,34-,35+,36+,37-,38-,39+,40-,41+,42+/m0/s1 |
| InChIKey | PLYNUDGPPVUDQC-XGRITKIYSA-N |
| Mol Weight | 906.8 g/mol |
| Molecular Formula | C42H50O22 |
| Exact Mass | 906.279373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrNvb08mU6x |
|---|---|
| Name | (S)-TOROSACHRYSONE-8-O-BETA-D-GENTIOBIOSIDE-HEPTAACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H50O22 |
| InChI | InChI=1S/C42H50O22/c1-17(43)54-15-29-34(56-18(2)44)36(58-20(4)46)38(60-22(6)48)40(63-29)55-16-30-35(57-19(3)45)37(59-21(5)47)39(61-23(7)49)41(64-30)62-28-12-26(53-9)11-24-10-25-13-42(8,52)14-27(50)31(25)33(51)32(24)28/h10-12,29-30,34-41,51-52H,13-16H2,1-9H3/t29-,30+,34-,35+,36+,37-,38-,39+,40-,41+,42+/m0/s1 |
| InChIKey | PLYNUDGPPVUDQC-XGRITKIYSA-N |
| Literature Reference Author | M.GILL,S.SAUBERN,J.YU |
| Literature Reference Citation | AUSTR.J.CHEM.,53,213(2000) |
| Literature Reference DOI | 10.1071/CH00038 |
| Molecular Weight | 906.846 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2905 |