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8,9-Dehydroestrone 2,4,16,16-[d4]

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General Information
Catalog: BLP-003142
Molecular Formula: C18H16D4O2
Molecular Weight: 272.37

Chemical Structure

Description	8,9-Dehydroestrone 2,4,16,16-[d4] is a labelled compound of Delta-8,9-Dehydro Estrone, a derivative of Estrone. Estrone is one of the three naturally occurring estrogens, the others being estradiol and estriol.
IUPAC Name	(13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,7,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
Related CAS	474-87-3 (unlabelled)
Canonical SMILES	CC12CCC3=C(C1CCC2=O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,16,19H,2,4,6-9H2,1H3/t16-,18-/m0/s1/i3D,7D2,10D
InChI Key	OUGSRCWSHMWPQE-JDRUIOPISA-N