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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25FO5S
Molecular Weight 396.473
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FPL-66366

SMILES

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

InChI

InChIKey=JLUKDLNTLCMRHG-BVBLFJQYSA-N
InChI=1S/C20H25FO5S/c1-18-10-16(24)20(21)13(12(18)4-5-17(18)27(3,25)26)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-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25FO5S
Molecular Weight 396.473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:16:21 UTC 2023
Edited
by admin
on Sat Dec 16 16:16:21 UTC 2023
Record UNII
LHB9SZJ5WX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FPL-66366
Code English
SQ 31855
Code English
TIPREDANE METABOLITE VI
Common Name English
ANDROSTA-1,4,16-TRIEN-3-ONE, 9-FLUORO-6,11-DIHYDROXY-17-(METHYLSULFONYL)-, (6.BETA.,11.BETA.)-
Systematic Name English
FPL 66366XX
Code English
Code System Code Type Description
PUBCHEM
10000827
Created by admin on Sat Dec 16 16:16:21 UTC 2023 , Edited by admin on Sat Dec 16 16:16:21 UTC 2023
PRIMARY
CAS
119262-77-0
Created by admin on Sat Dec 16 16:16:21 UTC 2023 , Edited by admin on Sat Dec 16 16:16:21 UTC 2023
PRIMARY
FDA UNII
LHB9SZJ5WX
Created by admin on Sat Dec 16 16:16:21 UTC 2023 , Edited by admin on Sat Dec 16 16:16:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID10922906
Created by admin on Sat Dec 16 16:16:21 UTC 2023 , Edited by admin on Sat Dec 16 16:16:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
PARENT -> METABOLITE
MAJOR
URINE