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THIOMYCALOLIDE_B;TRISOXAZOLE-MACROLIDE
SpectraBase Compound ID IAUReMBvZrx
InChI InChI=1S/C62H91N7O23S/c1-33(16-18-48(92-62(81)51(85-11)30-82-8)37(5)56(90-38(6)71)34(2)20-21-69(7)32-70)49(84-10)25-50-36(4)47(83-9)14-13-15-53-66-43(28-87-53)59-68-44(29-89-59)60-67-42(27-88-60)57(86-12)35(3)46(73)24-40(22-39(72)23-55(77)91-50)93-31-45(58(78)64-26-54(75)76)65-52(74)19-17-41(63)61(79)80/h13,15,20-21,27-29,32-37,39-41,45,47-51,56-57,72H,14,16-19,22-26,30-31,63H2,1-12H3,(H,64,78)(H,65,74)(H,75,76)(H,79,80)/b15-13+,21-20+/t33?,34?,35?,36?,37?,39?,40?,41-,45-,47?,48?,49?,50?,51?,56?,57?/m0/s1
InChIKey RUUMJBGFCHHXFD-GQVWWQBWSA-N
Mol Weight 1334.5 g/mol
Molecular Formula C62H91N7O23S
Exact Mass 1333.588703 g/mol
Enantiomer InChIKey RUUMJBGFCHHXFD-BCDXJHLESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Title Journal or Book Year
Thiomycalolides:  New Cytotoxic Trisoxazole-Containing Macrolides Isolated from a Marine Sponge Mycale sp. Journal of Natural Products 1998

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