ANDROST-4-EN-3-ONE, 12.ALPHA.-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27FO3
Molecular Weight	322.4143
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ANDROST-4-EN-3-ONE, 12.ALPHA.-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-

Structure Search

SMILES

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

InChI

InChIKey=JKRMUSMTFMBPFM-HPLVRFQDSA-N

InChI=1S/C19H27FO3/c1-18-8-7-11(21)9-10(18)3-4-12-13-5-6-14(22)19(13,2)17(20)16(23)15(12)18/h9,12-17,22-23H,3-8H2,1-2H3/t12-,13-,14-,15+,16+,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27FO3
Molecular Weight	322.4143
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 04:39:39 GMT 2023` Edited by `admin` on `Sat Dec 16 04:39:39 GMT 2023`
Record UNII	XSW6U77DX9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDROST-4-EN-3-ONE, 12.ALPHA.-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-

Systematic Name

English

ANDROST-4-EN-3-ONE, 12-FLUORO-11.BETA.,17.BETA.-DIHYDROXY-

Systematic Name

English

NSC-53895

Code

English

Code System Code Type Description

EPA CompTox

DTXSID60288044