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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H58F4O8S4
Molecular Weight 967.223
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIEN-3-ONE

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(=S)SSC(=S)[C@@]5(OC(=O)CC)[C@H](C)C[C@H]6[C@@H]7C[C@H](F)C8=CC(=O)C=C[C@]8(C)[C@@]7(F)[C@@H](O)C[C@]56C

InChI

InChIKey=XXHYCMUDMQKTMR-RUXGNHTFSA-N
InChI=1S/C48H58F4O8S4/c1-9-37(57)59-47(23(3)15-27-29-19-33(49)31-17-25(53)11-13-41(31,5)45(29,51)35(55)21-43(27,47)7)39(61)63-64-40(62)48(60-38(58)10-2)24(4)16-28-30-20-34(50)32-18-26(54)12-14-42(32,6)46(30,52)36(56)22-44(28,48)8/h11-14,17-18,23-24,27-30,33-36,55-56H,9-10,15-16,19-22H2,1-8H3/t23-,24-,27+,28+,29+,30+,33+,34+,35+,36+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H58F4O8S4
Molecular Weight 967.223
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:39 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:39 GMT 2025
Record UNII
9RM5TT5FXU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTA-1,4-DIEN-3-ONE, 17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-(6'.ALPHA.,11'.BETA.,16'.ALPHA.,17'.ALPHA.)-
Preferred Name English
17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIEN-3-ONE
Common Name English
Code System Code Type Description
CAS
201812-65-9
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
PUBCHEM
162623688
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
FDA UNII
9RM5TT5FXU
Created by admin on Tue Apr 01 16:23:39 GMT 2025 , Edited by admin on Tue Apr 01 16:23:39 GMT 2025
PRIMARY
Related Record Type Details
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