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PREMNAODOROSIDE_B;DIASTEREOMER_1
SpectraBase Compound ID 84F6WpvzbKt
InChI InChI=1S/C42H66O20/c1-18(9-11-55-36(52)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40)6-5-7-19(2)15-56-37(53)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21+,22-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1
InChIKey RSYWNRWGWFOOFN-QHYMQZHTSA-N
Mol Weight 891.0 g/mol
Molecular Formula C42H66O20
Exact Mass 890.414745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D58ZdQ12Q8
Name PREMNAODOROSIDE_B;DIASTEREOMER_1
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O20
InChI InChI=1S/C42H66O20/c1-18(9-11-55-36(52)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40)6-5-7-19(2)15-56-37(53)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21+,22-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1
InChIKey RSYWNRWGWFOOFN-QHYMQZHTSA-N
Literature Reference Author H.OTSUKA,N.KASHIMA,T.HAYASHI,N.KUBO,K.YAMASAKI,W.G.PADOLINA
Literature Reference Citation PHYTOCHEM.,31,3129(1992)
Literature Reference DOI 10.1016/0031-9422(92)83459-C
Molecular Weight 890.974 g/mol
Solvent CD3OD
Source File Reference UWMZ21441