Ethynyl Estradiol 3-β-D-Glucuronide , CAS No.60134-76-1

Item Number
E336083
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E336083-1mg
1mg
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a metabolite of Ethynylestradiol

Basic Description

Synonyms60134-76-1 | Ethynylestradiol-3-o-glucuronide | UNII-W9MHL6CNMK | W9MHL6CNMK | 17alpha-Ethynylestradiol 3-glucuronide | Ethynylestradiol 3--D-Glucuronide | Ethynyl Estradiol 3-?-D-Glucuronide | Ethynyl Estradiol 3-beta-D-Glucuronide | (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
Product Description

Ethynyl Estradiol 3-β-D-Glucuronide is a metabolite of Ethynylestradiol.

Associated Targets(Human)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRP3 Multidrug resistance associated protein (78 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

IUPAC Name (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
INCHI InChI=1S/C26H32O8/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h1,5,7,12,16-22,24,27-29,32H,4,6,8-11H2,2H3,(H,30,31)/t16-,17-,18+,19+,20+,21-,22+,24-,25+,26+/m1/s1
InChi Key DYBBEZHAELJFKW-IWTIIAAJSA-N
Canonical SMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
PubChem CID 9982244
Molecular Weight 472.53

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Chemical and Physical Properties

Melt Point(°C)161-163° C

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