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NONAACETYLPENTLANDIOSIDE
SpectraBase Compound ID 3ENIUDtBI1r
InChI InChI=1S/C52H66O30/c1-13-32-33(36(47(63)65-11)19-71-49(32)81-51-45(77-30(9)60)43(75-28(7)58)41(73-26(5)56)38(79-51)21-69-24(3)54)14-17-68-40(62)18-35-34(15-16-67-23(2)53)50(72-20-37(35)48(64)66-12)82-52-46(78-31(10)61)44(76-29(8)59)42(74-27(6)57)39(80-52)22-70-25(4)55/h13,15,19-20,32-33,35,38-39,41-46,49-52H,1,14,16-18,21-22H2,2-12H3/b34-15-/t32-,33+,35+,38+,39+,41+,42+,43-,44-,45+,46+,49+,50+,51-,52-/m1/s1
InChIKey NPAVNKRIAWSLQL-FZYGSOIHSA-N
Mol Weight 1171.1 g/mol
Molecular Formula C52H66O30
Exact Mass 1170.363891 g/mol
Enantiomer InChIKey NPAVNKRIAWSLQL-GUSSUTNLSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Pentlandioside: A New Bis-Secoiridoid fromCajophora pentlandii Planta Medica 1996

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