John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10abPkYKQN5

(accessed ).
GAOGFSYKCUEKTM-XPCWYLMMSA-N
SpectraBase Compound ID 10abPkYKQN5
InChI InChI=1S/C53H84O21/c1-22-30(55)33(58)35(60)43(68-22)73-41-34(59)31(56)23(2)69-46(41)74-40-32(57)26(54)21-67-45(40)71-38-36(61)39(42(63)64)72-44(37(38)62)70-29-13-14-50(7)27(49(29,5)6)12-15-52(9)28(50)11-10-24-25-20-48(3,4)16-18-53(25,47(65)66)19-17-51(24,52)8/h10,22-23,25-41,43-46,54-62H,11-21H2,1-9H3,(H,63,64)(H,65,66)/t22-,23-,25?,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,43+,44-,45+,46+,50-,51+,52+,53-/m0/s1
InChIKey GAOGFSYKCUEKTM-XPCWYLMMSA-N
Mol Weight 1057.2 g/mol
Molecular Formula C53H84O21
Exact Mass 1056.550511 g/mol
Enantiomer InChIKey GAOGFSYKCUEKTM-VNWKRQIPSA-N
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD:D2O
Title Journal or Book Year
Isolation and Structure Elucidation of Saponins from the Fruit of Guaiacum officinale Journal of Natural Products 1990
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