Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(3-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29F3O6S
Molecular Weight	538.576
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(3-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C5=COC=C5)C(=O)SCF

InChI

InChIKey=OTMGVJLPWGLCLK-OOSGJXQGSA-N

InChI=1S/C27H29F3O6S/c1-14-8-17-18-10-20(29)19-9-16(31)4-6-24(19,2)26(18,30)21(32)11-25(17,3)27(14,23(34)37-13-28)36-22(33)15-5-7-35-12-15/h4-7,9,12,14,17-18,20-21,32H,8,10-11,13H2,1-3H3/t14-,17+,18+,20+,21+,24+,25+,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H29F3O6S
Molecular Weight	538.576
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:48:45 GMT 2025` Edited by `admin` on `Wed Apr 02 20:48:45 GMT 2025`
Record UNII	8ZRC5E6V3X
Record Status	`Validated (UNII)`
Record Version

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Language

Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(3-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6?,11?,16?,17?)-

Preferred Name

English

Code System Code Type Description

CAS

398454-93-8

Created by admin on Wed Apr 02 20:48:45 GMT 2025 , Edited by admin on Wed Apr 02 20:48:45 GMT 2025

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FDA UNII

8ZRC5E6V3X

Created by admin on Wed Apr 02 20:48:45 GMT 2025 , Edited by admin on Wed Apr 02 20:48:45 GMT 2025

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PUBCHEM

9850168

Created by admin on Wed Apr 02 20:48:45 GMT 2025 , Edited by admin on Wed Apr 02 20:48:45 GMT 2025

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