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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26F2O4S
Molecular Weight 412.491
Optical Activity ( + )
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.,9.ALPHA.-DIFLUORO-11.BETA.,17.ALPHA.-DIHYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOIC ACID

SMILES

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

InChI

InChIKey=GLAJUXBOZSWZMM-IDIDPBNYSA-N
InChI=1S/C21H26F2O4S/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,27)17(26)28/h4-5,7,10,12-13,15-16,25,27H,6,8-9H2,1-3H3,(H,26,28)/t10-,12+,13+,15+,16+,18+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26F2O4S
Molecular Weight 412.491
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 Sat Dec 16 11:23:29 GMT 2023
Edited
by admin
on Sat Dec 16 11:23:29 GMT 2023
Record UNII
Q4ED6D7A2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.,9.ALPHA.-DIFLUORO-11.BETA.,17.ALPHA.-DIHYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOIC ACID
Systematic Name English
ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Systematic Name English
(6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXOANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
10024665
Created by admin on Sat Dec 16 11:23:29 GMT 2023 , Edited by admin on Sat Dec 16 11:23:29 GMT 2023
PRIMARY
CAS
80473-92-3
Created by admin on Sat Dec 16 11:23:29 GMT 2023 , Edited by admin on Sat Dec 16 11:23:29 GMT 2023
PRIMARY
FDA UNII
Q4ED6D7A2N
Created by admin on Sat Dec 16 11:23:29 GMT 2023 , Edited by admin on Sat Dec 16 11:23:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID501019405
Created by admin on Sat Dec 16 11:23:29 GMT 2023 , Edited by admin on Sat Dec 16 11:23:29 GMT 2023
PRIMARY
Related Record Type Details
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