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OFFICIGENIN-DIMETHYLESTER
SpectraBase Compound ID FiLXL5MtuRE
InChI InChI=1S/C62H96O9/c1-51(2)42-18-24-59(10)44(54(42,5)22-20-46(51)64)16-14-38-40-34-52(3,26-30-61(40,49(67)69-12)32-28-57(38,59)8)37-71-48(66)53(4)27-31-62(50(68)70-13)33-29-58(9)39(41(62)35-53)15-17-45-55(6)23-21-47(65)56(7,36-63)43(55)19-25-60(45,58)11/h14-15,40-47,63-65H,16-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-,47+,52+,53-,54-,55+,56-,57+,58-,59+,60-,61-,62+/m1/s1
InChIKey OFDRZTNTHXYONX-HBYXFASVSA-N
Mol Weight 985.4 g/mol
Molecular Formula C62H96O9
Exact Mass 984.705435 g/mol
Enantiomer InChIKey OFDRZTNTHXYONX-ZRGWDPNPSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Officigenin, a New Sapogenin of Guaiacum officinale Journal of Natural Products 1984

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