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Estriol 16-O-β-D-Glucuronide-[d6]

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General Information
Catalog: BLP-005354
Molecular Formula: C24H26D6O9
Molecular Weight: 470.54

Chemical Structure

Synonyms	Estriol-D6 glucuronide
IUPAC Name	(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-2,4,6,9,16,17-hexadeuterio-3,17-dihydroxy-13-methyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	1852-50-2 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CC(C2O)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O
InChI	InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1/i2D,3D,8D,13D,16D,21D/t2?,13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+
InChI Key	FQYGGFDZJFIDPU-FTCOSUQTSA-N
Purity	>98%
Storage	Store at -20°C