(Q82938374)

English

Sodium 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl sulfate

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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462.1324331039999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₇NaO₈S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COS(=O)(=O)[O-].[Na+]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12C=CC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COS(=O)(=O)[O-].[Na+]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H28O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/t14?,15?,16-,18?,19-,20-,21-;/m0./s1

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LTWZNVWFOGRESW-IYNKCUJVSA-M

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

DTXCID101385824

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