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TRIGOHETERIN_B
SpectraBase Compound ID C29pxer34lH
InChI InChI=1S/C42H48O14/c1-21(2)41(55-27(8)46)33(54-37(48)29-18-14-11-15-19-29)23(4)40(49)30-20-22(3)32(53-36(47)28-16-12-10-13-17-28)42(30)38(52-26(7)45)39(9,56-42)34(50-24(5)43)31(40)35(41)51-25(6)44/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39-,40-,41-,42+/m0/s1
InChIKey VNWXBSJRZOPCTC-RTADNBMMSA-N
Mol Weight 776.8 g/mol
Molecular Formula C42H48O14
Exact Mass 776.304406 g/mol
Enantiomer InChIKey VNWXBSJRZOPCTC-AKFWSEIYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Constituents of Trigonostemon heterophyllus Journal of Natural Products 2011

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