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1-O-[3,16-ALPHA-DIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL]-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONATE

Compound with spectra: 1 NMR

1-O-[3,16-ALPHA-DIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL]-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONATE
SpectraBase Compound ID E583tU9xDqw
InChI InChI=1S/C31H40O12/c1-14(32)39-24-25(40-15(2)33)27(41-16(3)34)30(42-26(24)29(37)38-5)43-28-23(36)13-22-21-8-6-17-12-18(35)7-9-19(17)20(21)10-11-31(22,28)4/h7,9,12,20-28,30,35-36H,6,8,10-11,13H2,1-5H3/t20?,21?,22?,23-,24+,25+,26+,27-,28+,30+,31+/m1/s1
InChIKey YGHDEDOGSDLPQU-LYSNWUEESA-N
Mol Weight 604.6 g/mol
Molecular Formula C31H40O12
Exact Mass 604.251977 g/mol
Enantiomer InChIKey YGHDEDOGSDLPQU-HBWYYJJOSA-N

View Spectrum of 1-O-[3,16-ALPHA-DIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-BETA-YL]-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONATE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
X-Ray crystal structure analysis and 13C NMR investigation of estriol 16- and 17-monoglucuronide derivatives Journal of the Chemical Society, Perkin Transactions 2 1996
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