3,4,5–Trihydroxy–6–(((8R,9S,13S,14S,17S)–3–hydroxy–13–methyl–7,8,9,11,12,13,14,15,16,17–decahydro–6H–cyclopenta(a)phenanthren–17–yl)oxy)tetrahydro–2H–pyran–2–carboxylic acid

cas: 1806-98-0 — see every product listed under this CAS number, including other names

3,4,5–Trihydroxy–6–(((8R,9S,13S,14S,17S)–3–hydroxy–13–methyl–7,8,9,11,12,13,14,15,16,17–decahydro–6H–cyclopenta(a)phenanthren–17–yl)oxy)tetrahydro–2H–pyran–2–carboxylic acid (CAS 1806-98-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGB54915-5
cas1806-98-0
size5mg
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GLPBio 5mg 5871.96 Pln

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17beta-estradiol 17-glucosiduronic acid is a steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 17 via a glycosidic linkage. It is a steroid glucosiduronic acid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol. It is a conjugate acid of a 17beta-estradiol 17-glucosiduronate.

Source: ChEBI

Identity
Molecular formulaC24H32O8
Molecular weight448.5 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid
InChIKeyMTKNDAQYHASLID-QXYWQCSFSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O

Computed by PubChem (NCBI)

Synonyms: Estradiol 17beta-glucuronide, Glucuronosylestradiol, 17b-Estradiol 17b-D-Glucuronide, estradiol 17b glucuronide, 17beta-Estradiol 17beta-D-glucuronide, 17beta-estradiol 17-glucosiduronic acid, 17beta-Estradiol 17-(beta-D-glucuronide), Estradiol 17-(|A-D-Glucuronide), Estradiol 17-(beta-D-Glucuronide), 3-hydroxyestra-1,3,5(10)-trien-17beta-yl beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C24H32O8
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C24H32O8
[(1R,2S,3R,5S,8S,9S,10S,11R,15S)-3-acetyloxy-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate C24H32O8
(1S,2S,8R)-3,3,5,8,10,10-hexamethoxy-11-[(E)-prop-1-enyl]-7-prop-2-enyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione C24H32O8
3,3,5,8,10,10-hexamethoxy-7,11-bis(prop-2-enyl)tricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione C24H32O8
2-[(4bS,8aS,9S,10S)-10-acetyloxy-1,9-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]propyl acetate C24H32O8
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(ethoxymethoxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate C24H32O8
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene C24H32O8
[(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate C24H32O8
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate C24H32O8
[(1S,1'R,3'S,5R,6S,7S,9S)-3'-acetyloxy-7-hydroxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate C24H32O8

Also listed as

Estradiol 17-Glucuronide Chemat Brand CAS 1806-98-0
17beta-Estradiol 17beta-D-Glucuronide, >95% (HPLC) TRC CAS 1806-98-0
Estradiol 17–(β–D–Glucuronide) GLPBio CAS 1806-98-0
Estradiol 17-O-β-D-glucuronide Chemat CAS 1806-98-0
17β-Estradiol 17β-D-glucuronide Biosynth CAS 1806-98-0
Estradiol 17-(β-D-Glucuronide), 99.0% MedChemExpress CAS 1806-98-0
Estradiol 17-(β-D-Glucuronide) Chemat CAS 1806-98-0