6-KETOESTRADIOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H22O3
Molecular Weight	286.3655
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-KETOESTRADIOL

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C3C=CC(O)=C4)[C@@H]1CC[C@@H]2O

InChI

InChIKey=ZHTDDOWJIRXOMA-YVEZLPLXSA-N

InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-147966

Preferred Name

English

6-KETOESTRADIOL

Common Name

English

(17.BETA.)-3,17-DIHYDROXYESTRA-1,3,5(10)-TRIEN-6-ONE

Common Name

English

ESTRA-1,3,5(10)-TRIEN-6-ONE, 3,17-DIHYDROXY-, (17.BETA.)-

Systematic Name

English

Code System Code Type Description

RS_ITEM_NUM

1250041

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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FDA UNII

BZ2CJW3GSE

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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PUBCHEM

66419

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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EPA CompTox

DTXSID50972566

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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CAS

571-92-6

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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NSC

147966

Created by admin on Tue Apr 01 16:26:40 GMT 2025 , Edited by admin on Tue Apr 01 16:26:40 GMT 2025

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SUBSTANCE RECORD


					BZ2CJW3GSE

6-KETOESTRADIOL