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ADOCIASULFATE-9
SpectraBase Compound ID JXsKhNH5c3H
InChI InChI=1S/C36H54O7S.Na/c1-22(2)9-8-16-36(7)29(38)14-19-34(5)27-12-17-33(4)26(32(27,3)20-15-30(34)42-36)13-18-35(6)28(33)21-23-24(37)10-11-25(31(23)35)43-44(39,40)41;/h9-11,26-30,37-38H,8,12-21H2,1-7H3,(H,39,40,41);/q;+1/p-1/t26-,27-,28+,29-,30+,32-,33-,34+,35+,36-;/m1./s1
InChIKey YLRASLJLPKKKAR-LYQRHMCXSA-M
Mol Weight 652.9 g/mol
Molecular Formula C36H53NaO7S
Exact Mass 652.340969 g/mol
Parent InChIKey BIDYQFHHOZSRAF-VLVFPMIKSA-M
Enantiomer InChIKey YLRASLJLPKKKAR-BOTBDVNISA-M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Adociasulfate-9, a New Hexaprenoid Hydroquinone from the Great Barrier Reef Sponge Adocia aculeata Journal of Natural Products 1999

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