SpectraBase Compound ID | 8INFUcfe0nv |
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InChI | InChI=1S/C42H70O16/c1-20(19-53-23(4)44)10-15-41(52-7)22(3)42(51)29(58-41)17-40(50)27-9-8-24-16-25(11-13-38(24,5)26(27)12-14-39(40,42)6)55-37-35(33(48)31(46)28(18-43)56-37)57-36-34(49)32(47)30(45)21(2)54-36/h20-22,24-37,43,45-51H,8-19H2,1-7H3/t20-,21+,22-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40-,41?,42-/m1/s1 |
InChIKey | NHPVVPLAHZAIRK-OITNKZBSSA-N |
Mol Weight | 831.0 g/mol |
Molecular Formula | C42H70O16 |
Exact Mass | 830.466386 g/mol |
SpectraBase Spectrum ID | AsN5CyrYcyU |
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Name | PARDARINOSIDE-A |
Compound Number | 103 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H70O16 |
InChI | InChI=1S/C42H70O16/c1-20(19-53-23(4)44)10-15-41(52-7)22(3)42(51)29(58-41)17-40(50)27-9-8-24-16-25(11-13-38(24,5)26(27)12-14-39(40,42)6)55-37-35(33(48)31(46)28(18-43)56-37)57-36-34(49)32(47)30(45)21(2)54-36/h20-22,24-37,43,45-51H,8-19H2,1-7H3/t20-,21+,22-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+,40-,41?,42-/m1/s1 |
InChIKey | NHPVVPLAHZAIRK-OITNKZBSSA-N |
Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
Literature Reference DOI | 10.1002/mrc.1260331202 |
Molecular Weight | 831.008 g/mol |
Solvent | C5D5N |
Source File Reference | UWCS22191 |