3-HYDROXY-ESTRA-1,3,5(10)-TRIEN-16-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O2
Molecular Weight	270.3661
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-ESTRA-1,3,5(10)-TRIEN-16-ONE

Structure Search

SMILES

C[C@@]12CC(=O)C[C@H]1[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC2

InChI

InChIKey=VUQQUDLAAJRNMK-ZJPYXAASSA-N

InChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O2
Molecular Weight	270.3661
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:50:14 GMT 2025` Edited by `admin` on `Mon Mar 31 21:50:14 GMT 2025`
Record UNII	KRJ378X57L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

C15215

Preferred Name

English

3-HYDROXY-ESTRA-1,3,5(10)-TRIEN-16-ONE

Systematic Name

English

16-ESTRONE

Common Name

English

(8S,9S,13R,14S)-3-HYDROXY-13-METHYL-7,8,9,11,12,14,15,17-OCTAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-16-ONE

Systematic Name

English

J530.371K

Code

English

NSC-72825

Code

English

ESTRA-1,3,5(10)-TRIEN-16-ONE, 3-HYDROXY-

Systematic Name

English

3-HYDROXYESTRA-1,3,5(10)-TRIEN-16-ONE

Systematic Name

English

3-HYDROXYESTRA-1(10),2,4-TRIEN-16-ONE

Systematic Name

English

Code System Code Type Description

NSC

72825