9-FLUORO-2-METHYLPREGN-4-ENE-3,11,20-TRIONE, (2.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29FO3
Molecular Weight	360.4623
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-FLUORO-2-METHYLPREGN-4-ENE-3,11,20-TRIONE, (2.ALPHA.)-

Structure Search

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC(=O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)[C@H](C)C[C@]34C

InChI

InChIKey=CCIHHCZWSDAQGO-ROXMKHFISA-N

InChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H29FO3
Molecular Weight	360.4623
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:37:22 GMT 2023` Edited by `admin` on `Sat Dec 16 04:37:22 GMT 2023`
Record UNII	773C284Q41
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-FLUORO-2-METHYLPREGN-4-ENE-3,11,20-TRIONE, (2.ALPHA.)-

Systematic Name

English

PREGN-4-ENE-3,11,20-TRIONE, 9-FLUORO-2-METHYL-, (2.ALPHA.)-

Systematic Name

English

PREGN-4-ENE-3,11,20-TRIONE, 9-FLUORO-2.ALPHA.-METHYL-

Systematic Name

English

NSC-51175

Code

English

Code System Code Type Description

EPA CompTox

DTXSID701216500