(Q82925584)

English

3,7-Dihydroxyestra-1(10),2,4-trien-17-one

group of stereoisomers with the chemical formula C₁₈H₂₂O₃

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Statements

group of stereoisomers

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chemical compound

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286.15689456399997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₂O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3c4ccc(O)cc4CC(O)C3C1CCC2=O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC(O)[C@H]3[C@@H]1CCC2=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C18H22O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-15,17,19-20H,4-7,9H2,1H3/t13-,14+,15?,17-,18+/m1/s1

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MXXBVPDRVYYYJY-PETKQJPQSA-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

DTXCID401376020

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