6-FLUORO-11,17,21-TRIHYDROXY-16-METHYLPREGN-4-ENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31FO5
Molecular Weight	394.4769
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-FLUORO-11,17,21-TRIHYDROXY-16-METHYLPREGN-4-ENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](F)C4=CC(=O)CC[C@]34C

InChI

InChIKey=JXOONFORBFAKIN-AFYJWTTESA-N

InChI=1S/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H31FO5
Molecular Weight	394.4769
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:06:28 GMT 2023` Edited by `admin` on `Fri Dec 15 15:06:28 GMT 2023`
Record UNII	86K01RBU61
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-FLUORO-11,17,21-TRIHYDROXY-16-METHYLPREGN-4-ENE-3,20-DIONE, (6.ALPHA.,11.BETA.,16.ALPHA.)-

Systematic Name

English

6.ALPHA.-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYLPREGN-4-ENE-3,20-DIONE

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 6-FLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (6.ALPHA.,11.BETA.,16.ALPHA.)-

Systematic Name

English

6.ALPHA.-FLUORO-16.ALPHA.-METHYL-.DELTA.4-PREGNENE-11,17,21-TRIOL-3,20-DIONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40959523