SpectraBase Compound ID | GBax9aWwo4P |
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InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19?,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49+,50+/m0/s1 |
InChIKey | IXUNZKARBRITGN-SXCWRYAQSA-N |
Mol Weight | 1049.2 g/mol |
Molecular Formula | C50H80O23 |
Exact Mass | 1048.509039 g/mol |
SpectraBase Spectrum ID | FtZU2562mZK |
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Name | CHLOROMALOSIDE_A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C50H80O23 |
InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19?,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49+,50+/m0/s1 |
InChIKey | IXUNZKARBRITGN-SXCWRYAQSA-N |
Literature Reference Author | S.X.QIU,X.C.LI,Y.XIONG,Y.DONG,H.CHAI,N.R.FARNSWORTH,J.M.PEZZ UTO,H.H.S.FONG |
Literature Reference Citation | PLANTA.MED.,66,587(2000) |
Literature Reference DOI | 10.1055/s-2000-8600 |
Molecular Weight | 1049.171 g/mol |
Solvent | C5D5N |
Source File Reference | UIAP1467 |