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3β-Hydroxy-estra-4,9,11-trien-17-one

CSA Names: 3β-Hydroxy-estra-4,9,11-trien-17-one
CSA Location: Schedule III Section (f) Subsection (1.0)(77)
CSA History: H.R. 4771, 113 Cong., 2nd Sess. added effective 18 Dec 2014
Names: (3β)-3-Hydroxyestra-4,9,11-trien-17-one (IUPAC)
Molecular formula: C18H22O2
Nominal mass: 270
Average mass: 270.3661
Monoisotopic mass: 270.161980
CAS registry number:
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Standard InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,12,15-16,19H,2-7H2,1H3/t12-,15+,16-,18-/m0/s1
Standard InChI key: GRQRGWQUCGCRIF-AWOKKLPBSA-N
SMILES: O[C@H]1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CCC4=O)C
Tags: USCSA,H.R.4771,recent