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Diethyl Stilbestrol beta-D-Glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS2408404
CAS2408-40-4
Structure
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid
Molecular Weight444.47
Molecular FormulaC24H28O8
Canonical SMILESCC\C(=C(\CC)/c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)\c3ccc(O)cc3
InChIInChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1
Accurate Mass444.1784
FormatNeat
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