17-β-Estradiol-[d3]-β-D-Glucuronide

Datasheet MSDS
Catalog Number
ALP2640
Product Name
17-β-Estradiol-[d3]-β-D-Glucuronide
Structure
17-β-Estradiol-[d3]-β-D-Glucuronide
CAS Number
1260231-06-8
IUPAC Name
(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
Synonyms
(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl-d3; β-D-GlucopyranosiduronicAcid; 3-(β-D-Glucopyranuronosyloxy)Estra-1,3,5(10)-trien-17β-ol-d3; Estradiol-16,16,17-d33-Glucuronide
Molecular Formula
C24H29D3O8
Molecular Weight
451.52
Appearance
White to Off-White Solid
Purity
95%
SMILES
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O
InChI
InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1/i7D2,17D
InChI Key
MUOHJTRCBBDUOW-NCKPPFHHSA-N
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