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Gemmacolide B
SpectraBase Compound ID 9zsF6ykwa38
InChI InChI=1S/C33H45ClO14/c1-14(2)12-22(39)47-24-27(44-18(6)36)31(9)21(43-17(5)35)11-10-15(3)23(34)26-33(41,16(4)30(40)48-26)29(46-20(8)38)25(31)32(13-42-32)28(24)45-19(7)37/h14,16,21,23-29,41H,3,10-13H2,1-2,4-9H3/t16-,21-,23-,24+,25+,26-,27-,28+,29-,31+,32-,33-/m0/s1
InChIKey UXSLAFGVDURMPX-MDZCNNNFSA-N
Mol Weight 701.2 g/mol
Molecular Formula C33H45ClO14
Exact Mass 700.249784 g/mol
Enantiomer InChIKey UXSLAFGVDURMPX-PDRHOBNMSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
New Briaranes from the South China Sea Gorgonian Junceella juncea Journal of Natural Products 2004
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