| SpectraBase Compound ID | 9elExu8qy8x |
|---|---|
| InChI | InChI=1S/C44H50O9S2/c1-26(2)32-19-17-27(3)21-34(32)52-43-39(38(42(46)53-43)40(45)28-22-36(47-4)41(49-6)37(23-28)48-5)44(54-30-13-9-7-10-14-30,55-31-15-11-8-12-16-31)29-18-20-33-35(24-29)51-25-50-33/h7-16,18,20,22-24,26-27,32,34,38-40,43,45H,17,19,21,25H2,1-6H3/t27?,32?,34?,38-,39+,40-,43+/m0/s1 |
| InChIKey | DLSQBUDGYUIHLF-XADKCZCKSA-N |
| Mol Weight | 787.0 g/mol |
| Molecular Formula | C44H50O9S2 |
| Exact Mass | 786.289626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Om7sbysAuQ |
|---|---|
| Name | (-)-(3S,4R,5R,6R)-3-(3',4',5'-TRIMETHOXY-ALPHA-HYDROXYBENZYL)-4-[3'',4''-METHYLENEDIOXY-ALPHA,ALPHA-BIS |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O9S2 |
| InChI | InChI=1S/C44H50O9S2/c1-26(2)32-19-17-27(3)21-34(32)52-43-39(38(42(46)53-43)40(45)28-22-36(47-4)41(49-6)37(23-28)48-5)44(54-30-13-9-7-10-14-30,55-31-15-11-8-12-16-31)29-18-20-33-35(24-29)51-25-50-33/h7-16,18,20,22-24,26-27,32,34,38-40,43,45H,17,19,21,25H2,1-6H3/t27?,32?,34?,38-,39+,40-,43+/m0/s1 |
| InChIKey | DLSQBUDGYUIHLF-XADKCZCKSA-N |
| Literature Reference Author | A.PELTER,R.S.WARD,D.M.JONES,P.MADDOCKS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2621(1993) |
| Literature Reference DOI | 10.1039/p19930002621 |
| Molecular Weight | 786.996 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3502 |