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Premyrsinol-3-propanoate-5-benzoate - 7,13,17-Triacetate
SpectraBase Compound ID 4UtdR8z56JL
InChI InChI=1S/C36H46O12/c1-9-25(40)46-28-18(2)16-36(43)27(28)30(47-31(41)22-13-11-10-12-14-22)35(17-44-19(3)37)24(45-20(4)38)15-23-26(33(23,6)7)29(35)34(8,32(36)42)48-21(5)39/h10-14,18,23-24,26-30,43H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27?,28-,29?,30+,34-,35+,36+/m0/s1
InChIKey XCYFSKKZKGHHRG-NJXWLSKHSA-N
Mol Weight 670.8 g/mol
Molecular Formula C36H46O12
Exact Mass 670.298927 g/mol
Enantiomer InChIKey XCYFSKKZKGHHRG-ASCACIIHSA-N
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Source of Spectrum G4-62-1403-6

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Wiley Registry of Mass Spectral Data 2023

Author: Wiley

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