6,6-Difluoronorethisterone acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26F2O3
Molecular Weight	376.4368
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,6-Difluoronorethisterone acetate

Structure Search

SMILES

[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4C(F)(F)C[C@@]23[H]

InChI

InChIKey=BPHXPNIAOQRMIY-ZSPTZRBXSA-N

InChI=1S/C22H26F2O3/c1-4-21(27-13(2)25)10-8-18-17-12-22(23,24)19-11-14(26)5-6-16(19)15(17)7-9-20(18,21)3/h1,11,15-18H,5-10,12H2,2-3H3/t15-,16-,17-,18+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26F2O3
Molecular Weight	376.4368
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:15 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:15 GMT 2023`
Record UNII	WSB66DWM5B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,6-Difluoronorethisterone acetate

Common Name

English

19-Nor-17α-pregn-4-en-20-yn-3-one, 6,6-difluoro-17-hydroxy-, acetate

Systematic Name

English

6,6-difluoro-17α-ethynylestr-4-en-17β-ol-3-one 17β-acetate

Systematic Name

English

6,6-difluoro-17α-ethynyl-19-nortestosterone 17β-acetate

Systematic Name

English

Code System Code Type Description

CAS

27189-18-0