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Stilbenes

Organic compounds classified as diarylethene, they contain a central ethylene group with one phenyl group substituents on each end of the carbon–carbon double bond as shown by the formula: C6H5CH=CHC6H5. They are phytoalexins produced by plants.

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Diethyl Stilbestrol beta-D-Glucuronide, TRC

CAS: 2408-40-4 Molecular Formula: C24 H28 O8 Molecular Weight (g/mol): 444.47 Synonym: Diethyl Stilbestrol-B-D-Glucuronide 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 SMILES: CC\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

CAS 2408-40-4
Molecular Weight (g/mol) 444.47
SMILES CC\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
Synonym Diethyl Stilbestrol-B-D-Glucuronide
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 Formula C24 H28 O8
2

(Z)-4-Hydroxy Tamoxifen O-beta-D-Glucuronide (~90%), TRC

CAS: 128255-45-8 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.64 Synonym: 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid,(Z)-4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid; IUPAC Name: (2S,3S,6S)-6-[4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: O[C@@H](C(O)C1O)[C@@H](C(O)=O)O[C@H]1OC2=CC=C(/C(C3=CC=C(OCCN(C)C)C=C3)=C(C4=CC=CC=C4)/CC)C=C2

CAS 128255-45-8
Molecular Weight (g/mol) 563.64
SMILES O[C@@H](C(O)C1O)[C@@H](C(O)=O)O[C@H]1OC2=CC=C(/C(C3=CC=C(OCCN(C)C)C=C3)=C(C4=CC=CC=C4)/CC)C=C2
Synonym 4-[(1Z)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid,(Z)-4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenyl β-D-Glucopyranosiduronic Acid;
IUPAC Name (2S,3S,6S)-6-[4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula C32H37NO8