16-(1-(ACETYLOXY)-2,2,2-TRIFLUOROETHYLIDENE)-3-METHOXYESTRA-1,3,5,7,9-PENTAEN-17-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H21F3O4
Molecular Weight	418.4056
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 16-(1-(ACETYLOXY)-2,2,2-TRIFLUOROETHYLIDENE)-3-METHOXYESTRA-1,3,5,7,9-PENTAEN-17-ONE

Structure Search

SMILES

COC1=CC2=C(C=C1)C3=C(C=C2)[C@@H]4C\C(C(=O)[C@@]4(C)CC3)=C(\OC(C)=O)C(F)(F)F

InChI

InChIKey=YIODTVGTQJKFMM-QGPSGZEKSA-N

InChI=1S/C23H21F3O4/c1-12(27)30-21(23(24,25)26)18-11-19-17-6-4-13-10-14(29-3)5-7-15(13)16(17)8-9-22(19,2)20(18)28/h4-7,10,19H,8-9,11H2,1-3H3/b21-18-/t19-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H21F3O4
Molecular Weight	418.4056
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:38:53 GMT 2025` Edited by `admin` on `Mon Mar 31 20:38:53 GMT 2025`
Record UNII	20UD11QB1D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

16-(1-(ACETYLOXY)-2,2,2-TRIFLUOROETHYLIDENE)-3-METHOXYESTRA-1,3,5,7,9-PENTAEN-17-ONE

Systematic Name

English

NSC-45226

Preferred Name

English

ESTRA-1,3,5,7,9-PENTAEN-17-ONE, 16-(1-(ACETYLOXY)-2,2,2-TRIFLUOROETHYLIDENE)-3-METHOXY-

Systematic Name

English

ESTRA-1,3,5(10),6,8-PENTAEN-17-ONE, 3-METHOXY-16-(2,2,2-TRIFLUORO-1-HYDROXYETHYLIDENE)-, ACETATE

Common Name

English

Code System Code Type Description

NSC

45226

Created by admin on Mon Mar 31 20:38:53 GMT 2025 , Edited by admin on Mon Mar 31 20:38:53 GMT 2025

PRIMARY

CAS

2691-81-8

Created by admin on Mon Mar 31 20:38:53 GMT 2025 , Edited by admin on Mon Mar 31 20:38:53 GMT 2025

PRIMARY

PUBCHEM

71586796

Created by admin on Mon Mar 31 20:38:53 GMT 2025 , Edited by admin on Mon Mar 31 20:38:53 GMT 2025

PRIMARY

FDA UNII

20UD11QB1D

Created by admin on Mon Mar 31 20:38:53 GMT 2025 , Edited by admin on Mon Mar 31 20:38:53 GMT 2025

PRIMARY