| SpectraBase Compound ID | 98bfCipNp2L |
|---|---|
| InChI | InChI=1S/C93H102O26/c1-52-41-46-93(105-49-52)53(2)72-69(119-93)48-68-66-40-39-64-47-65(42-44-91(64,7)67(66)43-45-92(68,72)8)110-89-81(118-88-79(109-57(6)96)76(108-56(5)95)73(54(3)106-88)107-55(4)94)78(115-86(101)62-35-23-13-24-36-62)75(71(111-89)51-104-83(98)59-29-17-10-18-30-59)117-90-80(116-87(102)63-37-25-14-26-38-63)77(114-85(100)61-33-21-12-22-34-61)74(113-84(99)60-31-19-11-20-32-60)70(112-90)50-103-82(97)58-27-15-9-16-28-58/h9-39,52-54,65-81,88-90H,40-51H2,1-8H3/t52-,53+,54-,65+,66-,67+,68+,69+,70-,71-,72+,73-,74-,75+,76+,77+,78+,79+,80-,81-,88-,89-,90+,91+,92+,93+/m1/s1 |
| InChIKey | NDKRKJBVSPRUCG-FDDNZDPWSA-N |
| Mol Weight | 1635.8 g/mol |
| Molecular Formula | C93H102O26 |
| Exact Mass | 1634.665933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I1bhIGoRXY |
|---|---|
| Name | NDKRKJBVSPRUCG-FDDNZDPWSA-N |
| Compound Number | 38 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C93H102O26 |
| InChI | InChI=1S/C93H102O26/c1-52-41-46-93(105-49-52)53(2)72-69(119-93)48-68-66-40-39-64-47-65(42-44-91(64,7)67(66)43-45-92(68,72)8)110-89-81(118-88-79(109-57(6)96)76(108-56(5)95)73(54(3)106-88)107-55(4)94)78(115-86(101)62-35-23-13-24-36-62)75(71(111-89)51-104-83(98)59-29-17-10-18-30-59)117-90-80(116-87(102)63-37-25-14-26-38-63)77(114-85(100)61-33-21-12-22-34-61)74(113-84(99)60-31-19-11-20-32-60)70(112-90)50-103-82(97)58-27-15-9-16-28-58/h9-39,52-54,65-81,88-90H,40-51H2,1-8H3/t52-,53+,54-,65+,66-,67+,68+,69+,70-,71-,72+,73-,74-,75+,76+,77+,78+,79+,80-,81-,88-,89-,90+,91+,92+,93+/m1/s1 |
| InChIKey | NDKRKJBVSPRUCG-FDDNZDPWSA-N |
| Literature Reference Author | Y.DU,G.GU,G.WEI,Y.HUA,R.J.LINHARDT |
| Literature Reference Citation | ORG.LETTERS,5,3627(2003) |
| Literature Reference DOI | 10.1021/ol035353s |
| Molecular Weight | 1635.817 g/mol |
| Sample ID | 49477 |
| Solvent | CDCl3 |