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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25FO4S
Molecular Weight 380.474
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTA-1,4,16-TRIEN-3-ONE, 9-FLUORO-6,11-DIHYDROXY-17-(METHYLSULFINYL)-, (6.BETA.,11.BETA.,17(R))-

SMILES

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

InChI

InChIKey=NTQRTWCTJVULPA-DJLRBMARSA-N
InChI=1S/C20H25FO4S/c1-18-10-16(24)20(21)13(12(18)4-5-17(18)26(3)25)9-15(23)14-8-11(22)6-7-19(14,20)2/h5-8,12-13,15-16,23-24H,4,9-10H2,1-3H3/t12-,13-,15+,16-,18-,19-,20-,26?/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25FO4S
Molecular Weight 380.474
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:16:20 GMT 2023
Edited
by admin
on Sat Dec 16 16:16:20 GMT 2023
Record UNII
T6DT68C3WU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTA-1,4,16-TRIEN-3-ONE, 9-FLUORO-6,11-DIHYDROXY-17-(METHYLSULFINYL)-, (6.BETA.,11.BETA.,17(R))-
Systematic Name English
Code System Code Type Description
PUBCHEM
3081687
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY
FDA UNII
T6DT68C3WU
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY
CAS
119262-78-1
Created by admin on Sat Dec 16 16:16:20 GMT 2023 , Edited by admin on Sat Dec 16 16:16:20 GMT 2023
PRIMARY
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