(Q81988144)

English

16-Hydroxyestrone

group of stereoisomers with the chemical formula C₁₈H₂₂O₃

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Statements

group of stereoisomers

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estrane steroid

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estrane steroid

286.15689456399997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₂O₃

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canonical SMILES

O=C1C(O)CC2C3CCC4=CC(O)=CC=C4C3CCC12C

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isomeric SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(O)C2=O

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Identifiers

InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,18+/m1/s1

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WPOCIZJTELRQMF-DIQFNYNJSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001333470

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