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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H34F2O7S
Molecular Weight 552.627
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, S-((3S)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-

SMILES

CCC(=O)O[C@@]1([C@H](C)C[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@]12C)C(=O)S[C@H]5CCOC5=O

InChI

InChIKey=POTREZAYKLAUSX-PIOZOLAZSA-N
InChI=1S/C28H34F2O7S/c1-5-22(33)37-28(24(35)38-20-7-9-36-23(20)34)14(2)10-16-17-12-19(29)18-11-15(31)6-8-25(18,3)27(17,30)21(32)13-26(16,28)4/h6,8,11,14,16-17,19-21,32H,5,7,9-10,12-13H2,1-4H3/t14-,16+,17+,19+,20+,21+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H34F2O7S
Molecular Weight 552.627
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:43:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:43:07 GMT 2025
Record UNII
97M3221V6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, S-((3S)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Common Name English
ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-17-(1-OXOPROPOXY)-, S-((3S)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-
Preferred Name English
Code System Code Type Description
PUBCHEM
11526868
Created by admin on Mon Mar 31 23:43:07 GMT 2025 , Edited by admin on Mon Mar 31 23:43:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID00940851
Created by admin on Mon Mar 31 23:43:07 GMT 2025 , Edited by admin on Mon Mar 31 23:43:07 GMT 2025
PRIMARY
CAS
192056-77-2
Created by admin on Mon Mar 31 23:43:07 GMT 2025 , Edited by admin on Mon Mar 31 23:43:07 GMT 2025
PRIMARY
FDA UNII
97M3221V6B
Created by admin on Mon Mar 31 23:43:07 GMT 2025 , Edited by admin on Mon Mar 31 23:43:07 GMT 2025
PRIMARY