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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30F2O8S
Molecular Weight 600.627
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-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, anhydrosulfide with 2-furancarbothioic acid, (6?,11?,16?,17?)-

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=CC=CO5)C(=O)SC(=O)C6=CC=CO6

InChI

InChIKey=IDGOYTOOZUPXJS-BLIQBSBASA-N
InChI=1S/C31H30F2O8S/c1-16-12-18-19-14-21(32)20-13-17(34)8-9-28(20,2)30(19,33)24(35)15-29(18,3)31(16,41-25(36)22-6-4-10-39-22)27(38)42-26(37)23-7-5-11-40-23/h4-11,13,16,18-19,21,24,35H,12,14-15H2,1-3H3/t16-,18+,19+,21+,24+,28+,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H30F2O8S
Molecular Weight 600.627
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 19:54:51 GMT 2025
Edited
by admin
on Wed Apr 02 19:54:51 GMT 2025
Record UNII
D24VPX3KH4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, anhydrosulfide with 2-furancarbothioic acid, (6?,11?,16?,17?)-
Preferred Name English
Code System Code Type Description
PUBCHEM
10167605
Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025
PRIMARY
FDA UNII
D24VPX3KH4
Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025
PRIMARY
CAS
397864-41-4
Created by admin on Wed Apr 02 19:54:51 GMT 2025 , Edited by admin on Wed Apr 02 19:54:51 GMT 2025
PRIMARY