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SWINHOLIDE_I
SpectraBase Compound ID 2KnSjUR2jBC
InChI InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25+,32-26+,44-23+,45-24+/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69?,70-,71-,72+,75-,76-,77-,78-/m0/s1
InChIKey XUQRQRKUGBIVEH-RAOMPRSNSA-N
Mol Weight 1405.9 g/mol
Molecular Formula C78H132O21
Exact Mass 1404.926111 g/mol
Enantiomer InChIKey XUQRQRKUGBIVEH-IYXXBGQLSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Hurghadolide A and Swinholide I, Potent Actin-Microfilament Disrupters from the Red Sea Sponge Theonella swinhoei Journal of Natural Products 2006

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