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Estriol-[d6] sulfate glucuronide

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General Information
Catalog: BLP-005356
Molecular Formula: C24H26D6O12S
Molecular Weight: 550.61

Chemical Structure

Synonyms	Estriol-D6 sulfate glucuronide
IUPAC Name	(2S,3S,4S,5R)-6-[[(9S,13S,16R,17R)-2,4,6,9,16,17-hexadeuterio-17-hydroxy-13-methyl-3-sulfooxy-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	4661-65-8 (unlabelled)
Canonical SMILES	CC12CCC3C(C1CC(C2O)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O
InChI	InChI=1S/C24H32O12S/c1-24-7-6-13-12-5-3-11(36-37(31,32)33)8-10(12)2-4-14(13)15(24)9-16(21(24)28)34-23-19(27)17(25)18(26)20(35-23)22(29)30/h3,5,8,13-21,23,25-28H,2,4,6-7,9H2,1H3,(H,29,30)(H,31,32,33)/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	ATNWFRGUDKUYOG-VGZOBVLUSA-N
Purity	>98%
Storage	Store at -20°C