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Details

Stereochemistry EPIMERIC
Molecular Formula C27H35FO9
Molecular Weight 522.5598
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-(ACETYLOXY)-16,17-((2-(ACETYLOXY)-1,2-ETHANEDIYL)BIS(OXY))-9-FLUORO-11-HYDROXYPREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

SMILES

[H][C@@]12C[C@H]3OCC(OC(C)=O)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=CC(=O)CC[C@]45C

InChI

InChIKey=SRLADAGCZFYGEY-CRWFCFPISA-N
InChI=1S/C27H35FO9/c1-14(29)34-12-21(33)27-22(35-13-23(37-27)36-15(2)30)10-19-18-6-5-16-9-17(31)7-8-24(16,3)26(18,28)20(32)11-25(19,27)4/h9,18-20,22-23,32H,5-8,10-13H2,1-4H3/t18-,19-,20-,22+,23?,24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H35FO9
Molecular Weight 522.5598
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:09:33 GMT 2023
Edited
by admin
on Sat Dec 16 07:09:33 GMT 2023
Record UNII
YLR84H77S9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-(ACETYLOXY)-16,17-((2-(ACETYLOXY)-1,2-ETHANEDIYL)BIS(OXY))-9-FLUORO-11-HYDROXYPREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-
Common Name English
PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-16,17-((2-(ACETYLOXY)-1,2-ETHANEDIYL)BIS(OXY))-9-FLUORO-11-HYDROXY-, (11.BETA.,16.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91667973
Created by admin on Sat Dec 16 07:09:33 GMT 2023 , Edited by admin on Sat Dec 16 07:09:33 GMT 2023
PRIMARY
FDA UNII
YLR84H77S9
Created by admin on Sat Dec 16 07:09:33 GMT 2023 , Edited by admin on Sat Dec 16 07:09:33 GMT 2023
PRIMARY
CAS
57331-31-4
Created by admin on Sat Dec 16 07:09:33 GMT 2023 , Edited by admin on Sat Dec 16 07:09:33 GMT 2023
PRIMARY