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Epothilone i-2
SpectraBase Compound ID KwTsulbT2Ip
InChI InChI=1S/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18?,20-,21?,24-,25-,27?/m0/s1
InChIKey ZRXGTLZTTTXSFQ-NDWPJBTKSA-N
Mol Weight 519.7 g/mol
Molecular Formula C29H45NO5S
Exact Mass 519.301845 g/mol
Enantiomer InChIKey ZRXGTLZTTTXSFQ-DYYSHHIBSA-N
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Source of Spectrum G4-64-855-31

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Wiley Registry of Mass Spectral Data 2023

Author: Wiley

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