16-KETOESTRADIOL

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(=O)[C@H](O)[C@@]1(C)CC[C@]3([H])C4=CC=C(O)C=C4CC[C@@]23[H]

InChI

InChIKey=KJDGFQJCHFJTRH-YONAWACDSA-N

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/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O3
Molecular Weight	286.3655
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:45:44 GMT 2023` Edited by `admin` on `Sat Dec 16 08:45:44 GMT 2023`
Record UNII	6CE096RR70
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16-KETOESTRADIOL

Common Name

English

J108.088A

Code

English

16-OXOESTRADIOL

Common Name

English

3,17.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIEN-16-ONE

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-16-ONE, 3,17-DIHYDROXY-, (17.BETA.)-

Systematic Name

English

(17R)-3,17.BETA.-DIHYDROXY-1,3,5(10)-ESTRATRIENE-16-ONE

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-16-ONE, 3,17.BETA.-DIHYDROXY-

Systematic Name

English

16-KETO-17.BETA.-ESTRADIOL

Common Name

English

NSC-51169

Code

English

Code System Code Type Description

WIKIPEDIA

16-Ketoestradiol