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BACCATIN-III-13-CINNAMATE
SpectraBase Compound ID LauJcX2Jmcj
InChI InChI=1S/C40H44O12/c1-22-27(50-30(44)18-17-25-13-9-7-10-14-25)20-40(47)35(51-36(46)26-15-11-8-12-16-26)33-38(6,28(43)19-29-39(33,21-48-29)52-24(3)42)34(45)32(49-23(2)41)31(22)37(40,4)5/h7-18,27-29,32-33,35,43,47H,19-21H2,1-6H3/b18-17+/t27-,28-,29+,32+,33?,35-,38+,39-,40+/m0/s1
InChIKey PPZXDJGRIUOJEB-UWPAXDIWSA-N
Mol Weight 716.8 g/mol
Molecular Formula C40H44O12
Exact Mass 716.283277 g/mol
Enantiomer InChIKey PPZXDJGRIUOJEB-AWVCOIROSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Abeo-taxanes from Taxus mairei Phytochemistry 1999

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