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UNMXIJDQDAFKGW-VQHYGWKBSA-N
SpectraBase Compound ID lsrxtuM9ik
InChI InChI=1S/C51H84O24/c1-19(18-67-45-40(63)38(61)34(57)28(15-52)70-45)8-11-51(66)20(2)32-27(75-51)14-26-24-7-6-22-12-23(13-31(55)50(22,5)25(24)9-10-49(26,32)4)69-48-44(74-46-41(64)37(60)33(56)21(3)68-46)43(36(59)30(17-54)72-48)73-47-42(65)39(62)35(58)29(16-53)71-47/h6,19-21,23-48,52-66H,7-18H2,1-5H3/t19-,20-,21+,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51+/m0/s1
InChIKey UNMXIJDQDAFKGW-VQHYGWKBSA-N
Mol Weight 1081.2 g/mol
Molecular Formula C51H84O24
Exact Mass 1080.535254 g/mol
Enantiomer InChIKey UNMXIJDQDAFKGW-DWUHIOBDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N:D2O=9:1
Title Journal or Book Year
NMR assignment of the absolute configuration of C-25 in furostanol steroidal saponins Steroids 2012

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