(Q82694365)

English

(5alpha,10xi,13xi)-Androstane-3,17-diol--water (1/1)

group of stereoisomers with the chemical formula C₁₉H₃₄O₃

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Statements

group of stereoisomers

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chemical compound

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310.25079494799996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₄O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O.O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC12CC[C@H]3[C@@H](CC[C@H]4CC(O)CCC43C)[C@@H]1CCC2O.O

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H32O2.H2O/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;/h12-17,20-21H,3-11H2,1-2H3;1H2/t12-,13?,14-,15-,16-,17?,18?,19?;/m0./s1

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IOIXDBPGNHNGOY-VBJNGQJESA-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

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