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Estrone Glucuronide-[d4]

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General Information
Catalog: BLP-005358
CAS: 870061-18-0
Molecular Formula: C24H26D4O8
Molecular Weight: 450.52

Chemical Structure

Description	Estrone Glucuronide-[d4] is a deuterium labelled form of Estrone Glucuronide, which is a derivative of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol.
Synonyms	(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl-2,4,16,16-d4)oxy)tetrahydro-2H-pyran-2-carboxylic acid; Estrone-O-β-D-Glucuronide-d4; Estrone-D4 Glucuronide; Estrone-d4 3-glucuronide; Estrone-2,4,16,16-d4 3-O-beta-D-glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Related CAS	2479-90-5 (unlabelled)
Canonical SMILES	[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H]
InChI	InChI=1S/C24H30O8/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/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1/i3D,7D2,10D
InChI Key	FJAZVHYPASAQKM-KBACYIOASA-N
Purity	>95%
Storage	Store at -20°C

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