| SpectraBase Compound ID | 1yUQw19lrzi |
|---|---|
| InChI | InChI=1S/C43H54Cl2N2O16/c1-22-18-25(45)29(60-22)17-13-9-8-11-15-24(44)14-10-6-4-3-5-7-12-16-27(48)32-34(52)26(19-31(46)50)47(40(32)57)41-39(35(53)28(49)20-58-41)63-42-38(56)36(54)30(21-59-42)62-43-37(55)33(51)23(2)61-43/h3-17,22-23,25-26,28-30,33,35-39,41-43,48-49,51,53-56H,18-21H2,1-2H3,(H2,46,50)/b4-3+,7-5+,9-8-,10-6+,15-11+,16-12+,17-13+,24-14-,32-27-/t22-,23-,25+,26+,28+,29+,30+,33-,35-,36+,37+,38-,39+,41+,42-,43+/m1/s1 |
| InChIKey | RKYULEJVKNWHES-UXBJMTNPSA-N |
| Mol Weight | 925.8 g/mol |
| Molecular Formula | C43H54Cl2N2O16 |
| Exact Mass | 924.285039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRbRyo58GSc |
|---|---|
| Name | RUBROSIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H54Cl2N2O16 |
| InChI | InChI=1S/C43H54Cl2N2O16/c1-22-18-25(45)29(60-22)17-13-9-8-11-15-24(44)14-10-6-4-3-5-7-12-16-27(48)32-34(52)26(19-31(46)50)47(40(32)57)41-39(35(53)28(49)20-58-41)63-42-38(56)36(54)30(21-59-42)62-43-37(55)33(51)23(2)61-43/h3-17,22-23,25-26,28-30,33,35-39,41-43,48-49,51,53-56H,18-21H2,1-2H3,(H2,46,50)/b4-3+,7-5+,9-8-,10-6+,15-11+,16-12+,17-13+,24-14-,32-27-/t22-,23-,25+,26+,28+,29+,30+,33-,35-,36+,37+,38-,39+,41+,42-,43+/m1/s1 |
| InChIKey | RKYULEJVKNWHES-UXBJMTNPSA-N |
| Literature Reference Author | N.U.SATA,S.I.WADA,S.MATSUNAGA,S.WATABE,R.W.M.V.SOEST,N.FUSET ANI |
| Literature Reference Citation | J.ORG.CHEM.,64,2331(1999) |
| Literature Reference DOI | 10.1021/jo981995v |
| Molecular Weight | 925.812 g/mol |
| Sample ID | 58592 |
| Solvent | DMSO-D6 |